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[{"$nulls":3},"Protein protein interaction Inhibitor Library (96 well)-L8100"]
[null,"For more information on Selleck library service, please contact us via +1-832-582-8158 or library@selleckchem.com"]
[]
[null,"Product Details:"]
[null,"Description",null,"A unique collection of 407 compounds"]
[null,"Container",null,"96 Deep Well Plate"]
[null,"Stability",null,"12 months | ﹣20°C | in DMSO"]
[{"$nulls":3},"24 months | ﹣80°C | in DMSO"]
[null,"Shipping",null,"Blue ice or Dry ice"]
[null,"Formulation",null,"Solubility ≥10 mM pre-dissolved in 10 mM solution and solubility between 2 mM and 10 mM pre-dissolved in 2 mM solution"]
[{"$nulls":3},"In 10 mM DMSO : Plate layout L8100-01~05;    In 2 mM DMSO : Plate layout L8100-07"]
[{"$nulls":3},"In 10 mM Water: Plate layout L8100-06;      In 2 mM Water  : Plate layout L8100-08"]
[]
[]
[null,"Plate layout: L8100-01"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S1002","S1039","S1130","S1175","S1291","S1393","S1633","S1835","S2037","S2188","Empty"]
[{"$nulls":3},"ABT-737","Rapamycin (AY-22989)","Sepantronium Bromide","BIIB021","Cetirizine DiHCl","Pirarubicin (NSC-333054)","Zafirlukast (ICI-204219)","Azithromycin (CP-62993)","Candesartan Cilexetil","Phenprocoumon"]
[null,"b","Empty","S1005","S1044","S1141","S1178","S1293","S1403","S1635","S1890","S2051","S2195","Empty"]
[{"$nulls":3},"Axitinib (AG 013736)","Temsirolimus (CCI-779)","Tanespimycin (17-AAG)","Regorafenib (BAY 73-4506)","Cilnidipine (FRC-8653)","Tigecycline (GAR-936)","Erythromycin","Nizatidine","Captopril","Lexibulin (CYT997)"]
[null,"c","Empty","S1013","S1057","S1148","S1185","S1297","S1490","S1639","S1913","S2061","S2226","Empty"]
[{"$nulls":3},"Bortezomib (PS-341)","Obatoclax Mesylate (GX15-070)","Docetaxel (RP56976)","Ritonavir (ABT-538)","Epothilone A","Ponatinib (AP24534)","Amprenavir (VX-478)","Tropicamide","Lovastatin (MK-803)","Idelalisib"]
[null,"d","Empty","S1014","S1060","S1150","S1192","S1334","S1538","S1640","S1937","S2069","S2254","Empty"]
[{"$nulls":3},"Bosutinib (SKI-606)","Olaparib (AZD2281)","Paclitaxel (NSC 125973)","Raltitrexed","Flupirtine maleate","Telaprevir (VX-950)","Albendazole (SKF-62979)","Isoniazid","Argatroban (MCI-9038)","4-Demethylepipodophyllotoxin(NSC-122819,VM-26)"]
[null,"e","Empty","S1021","S1061","S1163","S1216","S1344","S1567","S1643","S1956","S2128","S2284","Empty"]
[{"$nulls":3},"Dasatinib (BMS-354825)","Nutlin-3","Onalespib (AT13387)","PFI-1 (PF-6405761)","Glimepiride","Pomalidomide (CC-4047)","Ursodiol","Miconazole Nitrate","Bazedoxifene (WAY-140424) HCl","Colchicine (NSC 757)"]
[null,"f","Empty","S1025","S1068","S1164","S1233","S1358","S1593","S1657","S2001","S2151","S2286","Empty"]
[{"$nulls":3},"Gefitinib (ZD1839)","Crizotinib (PF-02341066)","Lenvatinib (E7080)","2-Methoxyestradiol (2-MeOE2)","Loratadine (SCH29851)","Apixaban (BMS 562247-01)","Enalaprilat Dihydrate","Elvitegravir (JTK-303)","Sonidegib (NVP-LDE225)","Cyclosporin A (NSC 290193)"]
[null,"g","Empty","S1029","S1069","S1165","S1241","S1378","S1606","S1786","S2003","S2167","S2302","Empty"]
[{"$nulls":3},"Lenalidomide (CC-5013)","Luminespib (NVP-AUY922)","ABT-751 (E7010)","Vincristine (NSC-67574) sulfate","Ruxolitinib (INCB018424)","Clotrimazole","Verteporfin (CL 318952)","Maraviroc (UK-427857)","Bazedoxifene (TSE-424) acetate","Glycyrrhizin (NSC 167409)"]
[null,"h","Empty","S1033","S1119","S1172","S1267","S1380","S1618","S1793","S2005","S2180","S2408","Empty"]
[{"$nulls":3},"Nilotinib (AMN-107)","Cabozantinib (BMS-907351)","Serdemetan (JNJ-26854165)","Vemurafenib (PLX4032)","Lopinavir (ABT-378)","Sulfameter","Ramipril","Raltegravir (MK-0518)","Ixazomib (MLN2238)","Cephalomannine"]
[]
[]
[]
[null,"Plate layout: L8100-02"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S2457","S2662","S2775","S2907","S3116","S3727","S4078","S4267","S4505","S4877","Empty"]
[{"$nulls":3},"Clindamycin HCl","Foscenvivint (ICG-001)","Nocodazole (R17934)","Pirfenidone (S-7701)","Sulfathiazole","Vilanterol Trifenate","Mefenamic Acid","Diacerein","Vinblastine (NSC-49842) sulfate","Eperisone hydrochloride"]
[null,"b","Empty","S2475","S2673","S2780","S3002","S3147","S3728","S4091","S4269","S4548","S4878","Empty"]
[{"$nulls":3},"Imatinib (STI571)","Trametinib (GSK1120212)","I-BET151 (GSK1210151A)","Rivaroxaban (BAY 59-7939)","Entacapone","Grazoprevir","Ifenprodil Tartrate","Vinorelbine ditartrate (KW-2307)","Aminoguanidine hydrochloride","Neticonazole Hydrochloride"]
[null,"c","Empty","S2489","S2680","S2781","S3012","S3161","S3733","S4104","S4277","S4625","S4935","Empty"]
[{"$nulls":3},"Nateglinide","Ibrutinib (PCI-32765)","RITA (NSC 652287)","Pazopanib","Sertaconazole nitrate","Boceprevir","Diminazene Aceturate","Bambuterol HCl","Alcaftadine","Asunaprevir (BMS-650032)"]
[null,"d","Empty","S2511","S2700","S2789","S3022","S3163","S3970","S4107","S4308","S4629","S4976","Empty"]
[{"$nulls":3},"Sulfadoxine","Tirbanibulin","Tofacitinib (CP-690550)","Cabazitaxel (XRP6258)","Benztropine mesylate","Vindoline","Clofazimine","Benzthiazide","Chlorotrianisene","Sulfalene (SMPZ)"]
[null,"e","Empty","S2536","S2727","S2794","S3031","S3604","S4000","S4114","S4335","S4651","S5003","Empty"]
[{"$nulls":3},"Miconazole","Dacomitinib (PF-00299804)","Sofosbuvir (GS-7977)","Linagliptin (BI-1356)","Triptolide (PG490)","Pergolide Mesylate","Triclabendazole","Metaproterenol Sulfate","Etoricoxib","Tacrolimus (FK506)"]
[null,"f","Empty","S2567","S2741","S2851","S3079","S3644","S4012","S4223","S4353","S4662","S5015","Empty"]
[{"$nulls":3},"Medroxyprogesterone acetate (NSC-26386)","Niraparib (MK-4827)","Baricitinib (INCB028050)","Atovaquone","Sulfamonomethoxine","Desloratadine","Mevastatin","Terfenadine","Atazanavir","Simeprevir (TMC435)"]
[null,"g","Empty","S2606","S2754","S2853","S3083","S3714","S4031","S4250","S4398","S4747","S5038","Empty"]
[{"$nulls":3},"Mifepristone (RU486)","Xevinapant (AT406)","Carfilzomib (PR-171)","Indacaterol Maleate","Lifitegrast","Aclidinium Bromide","Sulfamethoxypyridazine","Isoxicam","Jervine","Valethamate Bromide"]
[null,"h","Empty","S2625","S2762","S2861","S3104","S3725","S4061","S4257","S4422","S4837","S5067","Empty"]
[{"$nulls":3},"Fostamatinib (R788)","Alectinib (CH5424802)","CTEP (RO4956371)","Moguisteine","ELR-510444","Levobupivacaine HCl","Alizapride HCl","Nitenpyram","Ibudilast","Losartan"]
[]
[]
[]
[null,"Plate layout: L8100-03"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S5094","S5278","S5605","S5718","S6465","S7010","S7126","S7305","S7493","S7620","Empty"]
[{"$nulls":3},"Maduramycin Ammonium","Tedizolid (TR-700)","Tos-Arg-OMe HCl","Acrivastine","Tafamidis","GDC-0152","Marinopyrrole A (Maritoclax)","MS436","INH1","GSK1324726A (I-BET726)"]
[null,"b","Empty","S5112","S5291","S5654","S5720","S6469","S7015","S7153","S7320","S7494","S7649","Empty"]
[{"$nulls":3},"alpha-Arbutin","sulfaisodimidine","Indacaterol","Glecaprevir","Thonzylamine","Birinapant (TL32711)","10058-F4","TG003","INH6","MI-773 (SAR405838)"]
[null,"c","Empty","S5132","S5314","S5657","S5815","S6511","S7025","S7189","S7360","S7495","S7678","Empty"]
[{"$nulls":3},"Casanthranol","HTHQ (1-O-Hexyl-2,3,5-trimethylhydroquinone)","Ertapenem sodium","WAY-316606","RIPA-56","Embelin","Molibresib (I-BET-762)","Birabresib (OTX015)","TAI-1","Sacubitril/valsartan (LCZ696)"]
[null,"d","Empty","S5179","S5388","S5659","S5829","S6520","S7028","S7205","S7369","S7497","S7754","Empty"]
[{"$nulls":3},"Ropivacaine Mesilate","Betrixaban","Emedastine","Monomyristin","WHI-P180","Duvelisib (IPI-145)","Idasanutlin (RG-7388)","4EGI-1","CK-636","Gilteritinib (ASP2215)"]
[null,"e","Empty","S5233","S5476","S5673","S5925","S6527","S7030","S7224","S7370","S7536","S7766","Empty"]
[{"$nulls":3},"Fenretinide (NSC 374551)","Rolapitant","Mivacurium chloride","Olodaterol hydrochloride","Kobe2602","RG-7112","Deltarasin","4E1RCat","Lorlatinib (PF-6463922)","Cabotegravir (GSK1265744)"]
[null,"f","Empty","S5246","S5540","S5697","S6407","S6605","S7083","S7295","S7381","S7579","S7769","Empty"]
[{"$nulls":3},"Entecavir","Landiolol hydrochloride","Isopropamide Iodide","Tulobuterol hydrochloride","AR7","Ceritinib (LDK378)","Apabetalone (RVX-208)","Pepstatin A","Ledipasvir (GS5885)","BP-1-102"]
[null,"g","Empty","S5250","S5594","S5698","S6423","S7007","S7088","S7297","S7397","S7618","S7783","Empty"]
[{"$nulls":3},"Darunavir","(-)-(S)-α-terpineol","Ketorolac tromethamine salt","Tildipirosin","Binimetinib (MEK162)","UNC1215","Osimertinib (AZD9291)","Sorafenib (BAY 43-9006)","MI-2 (Menin-MLL Inhibitor)","Combretastatin A4"]
[null,"h","Empty","S5256","S5596","S5716","S6435","S7009","S7110","S7304","S7440","S7619","S7786","Empty"]
[{"$nulls":3},"Benproperine phosphate","(1S)-(-)-α-Pinene","Abemaciclib (LY2835219)","Mequitazine","LCL161","(+)-JQ1","CPI-203","Ribociclib (LEE011)","MI-3 (Menin-MLL Inhibitor)","Erlotinib (OSI-774)"]
[]
[]
[]
[null,"Plate layout: L8100-04"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S7787","S7913","S8078","S8275","S8429","S8775","S9084","S6589","S6673","S1001","Empty"]
[{"$nulls":3},"Docetaxel Trihydrate","MCB-613","Bardoxolone Methyl","Tomivosertib (eFT-508)","PNU-74654","HS-1371","Rhoifolin","Norethisterone Enanthate","CCG-222740","Navitoclax (ABT-263)"]
[null,"b","Empty","S7815","S7934","S8169","S8303","S8474","S8787","S9100","S6607","S0436","S3301","Empty"]
[{"$nulls":3},"MI-136","SR9243","GSK481","Kobe0065","LF3","GSK'547","Fraxinellone","YL-109","Pleconaril","Cynarin"]
[null,"c","Empty","S7816","S7940","S8177","S8312","S8496","S8789","S9142","S6727","S2447","S6845","Empty"]
[{"$nulls":3},"MI-463","NSC12","BH3I-1","NSC228155","EED226","SSE15206","Sparteine","AX-024 HCl","Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222)","GRL0617"]
[null,"d","Empty","S7833","S8041","S8201","S8318","S8528","S8826","S9265","S6752","S6685","S6847","Empty"]
[{"$nulls":3},"OICR-9429","Cobimetinib (GDC-0973)","BI-78D3","Alantolactone","SR-18292","BAY-293","7-Epitaxol","Y16","Mavacoxib","ML-9 HCl"]
[null,"e","Empty","S7854","S8048","S8206","S8320","S8559","S8859","S9315","S9015","S6796","S6893","Empty"]
[{"$nulls":3},"Ulixertinib (BVD-523)","Venetoclax (ABT-199)","Ivosidenib (AG-120)","SKL2001","INF39","BMS-1166","Praeruptorin A","Homoharringtonine (CGX-635)","BTB-1","PIN1 inhibitor API-1"]
[null,"f","Empty","S7875","S8065","S8240","S8359","S8594","S8864","S9409","S2418","S8951","S6905","Empty"]
[{"$nulls":3},"NVP-CGM097","Nutlin-3b","SMER28","UNC3866","Tirofiban Hydrochloride","ZT-12-037-01","Kavain","Frentizole","TED-347","MCP110"]
[null,"g","Empty","S7911","S8067","S8248","S8409","S8714","S9020","S9502","S2436","S0346","S8449","Empty"]
[{"$nulls":3},"BMS-1 (PD-1/PD-L1 inhibitor 1)","Vorapaxar (MK-5348)","IQ-1","KG-501 (2-naphthol-AS-E-phosphate)","INCB057643","Dihydrotanshinone I","Madecassic acid","Pranidipine","NAcM-OPT","VH298"]
[null,"h","Empty","S7912","S8072","S8251","S8426","S8739","S9055","S9566","S2444","S0444","S8906","Empty"]
[{"$nulls":3},"BMS202 (PD-1/PD-L1 inhibitor 2)","NSC 405020","Necrosulfonamide","10074-G5","PLX51107","Salvianolic acid A","Bepridil hydrochloride","Parbendazole","Indibulin","MYCi975"]
[]
[]
[]
[null,"Plate layout: L8100-05"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S8916","S6921","S8956","E0030","S6960","E1087","E2686","S6679","S7654","Empty","Empty"]
[{"$nulls":3},"BI-3406","Dorzagliatin","(Z)-4-Hydroxytamoxifen","NS309","Auxinole","5-amino-2,4-dimethylpyridine (5A-DMP)","Methoprene","C25-140","Defactinib (VS-6063)"]
[null,"b","Empty","S9610","S9718","S9670","S3408","E0778","E1151","E2832","S8059","Empty","Empty","Empty"]
[{"$nulls":3},"BMS-1001","TK216","Pitstop 2","A286982","o-3M3FBS","JR-AB2-011","LCS-1","Nutlin-3a"]
[null,"c","Empty","S0515","S0235","S9724","S7690","E0794","E1152","P1165","S8431","Empty","Empty","Empty"]
[{"$nulls":3},"PLpro inhibitor","Lavendustin B","SZL P1-41","CK-666","MID-1","AGX51","Pep2m, myristoylated (TFA)","SPD304"]
[null,"d","Empty","S0856","S2973","S0187","E0158","E0808","E1190","P1220","S8681","Empty","Empty","Empty"]
[{"$nulls":3},"KM91104","SEC inhibitor KL-1","M2I-1","N-Nitroso-N-methylurea","BI-6C9","UC2288","tat-nr2b9c","Tolinapant (ASTX660)"]
[null,"e","Empty","S0869","S3472","S4485","E1042","E0936","E2252","S7817","S8934","Empty","Empty","Empty"]
[{"$nulls":3},"Carbetapentane","Metarrestin (ML246)","Olodaterol (BI 1744)","SMIFH2","IGS-1.76","SU3327","MI-503","VTP50469"]
[null,"f","Empty","S0884","S4611","S6954","S0734","E0943","E2376","E0680","S8968","Empty","Empty","Empty"]
[{"$nulls":3},"RA-9","TCEP Hydrochloride","CK-869","Aminopurvalanol A","NBD-556","KY-05009","Deslanoside","PRI-724"]
[null,"g","Empty","S1027","S5080","S6993","S1991","E0945","E2631","E2644","E0488","Empty","Empty","Empty"]
[{"$nulls":3},"FL-411","Neticonazole","(+)-JQ1 carboxylic acid","iKIX1","BIA","Colcemid","Tetramethylcurcumin","BC-LI-0186"]
[null,"h","Empty","S2798","S5978","S8996","S3374","E1059","E2683","S3376","E1245","Empty","Empty","Empty"]
[{"$nulls":3},"GW6471","Gallein","Revumenib","Verubulin hydrochloride","UNC6934","Ursodeoxycholic acid sodium","RBPJ Inhibitor-1 (RIN1)","Ro5-3335"]
[]
[]
[]
[null,"Plate layout: L8100-06"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S2000","S2441","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Sodium orthovanadate","Estramustine phosphate sodium"]
[null,"b","Empty","S3056","S9728","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Miltefosine","BSO (L-Buthionine-(S,R)-sulfoximine)"]
[null,"c","Empty","S3065","S8164","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Amikacin disulfate","YAP-TEAD Inhibitor 1 (Peptide 17)"]
[null,"d","Empty","S4180","S8554","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Nefopam HCl","Super-TDU"]
[null,"e","Empty","S5115","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Sodium L-ascorbyl-2-phosphate"]
[null,"f","Empty","S5588","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Creatine"]
[null,"g","Empty","S7204","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Fosbretabulin (Combretastatin A4 Phosphate (CA4P)) Disodium"]
[null,"h","Empty","P1017","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Octreotide (SMS 201-995) acetate"]
[]
[]
[]
[null,"Plate layout: L8100-07"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S1046","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Vandetanib (ZD6474)"]
[null,"b","Empty","S1837","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Flubendazole"]
[null,"c","Empty","S3721","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Bilastine"]
[null,"d","Empty","S4218","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Amoxapine"]
[null,"e","Empty","S8229","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Brigatinib (AP26113)"]
[null,"f","Empty","S8927","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"GSK2983559 (compound 3)"]
[null,"g","Empty","S6085","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"KY19382 (A3051)"]
[null,"h","Empty","E0524","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Spinosad"]
[]
[]
[]
[null,"Plate layout: L8100-08"]
[null,null,1,2,3,4,5,6,7,8,9,10,11,12]
[null,"a","Empty","S1346","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Heparin sodium"]
[null,"b","Empty","S8030","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[{"$nulls":3},"Plerixafor (AMD3100)"]
[null,"c","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[]
[null,"d","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[]
[null,"e","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[]
[null,"f","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[]
[null,"g","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]
[]
[null,"h","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty","Empty"]

{"sheet":"L8100-PPI-407 cpds","index":1,"n_rows":408,"n_cols":23,"rows_kept":408}
["Cat","Name","Plate Location","Rack Number","Formulation","Target","Pathway","Information","M.w.","CAS Number","DMSO (mg/mL)Max Solubility","DMSO (mM)Max Solubility","Water (mg/mL)Max Solubility","Water (mM)Max Solubility","URL","Formula","Form","Synonyms","SMILES","ALogP","HBA_Count","HBD_Count","RotatableBond"]
["S1002","ABT-737","a2","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,Bcl-2,Mitophagy","Apoptosis","ABT-737 is a BH3 mimetic inhibitor of Bcl-xL, Bcl-2 and Bcl-w with EC50 of 78.7 nM, 30.3 nM and 197.8 nM in cell-free assays, respectively; no inhibition observed against Mcl-1, Bcl-B or Bfl-1. ABT-737 induces mitochondrial pathway apoptosis and mitophagy. Phase 2.",813.43,"852808-04-9",{"v":100,"d":"100.00"},122.94,"<1","N/A","http://selleckchem.com/products/ABT-737.html","C42H45ClN6O5S2","free base","N/A","CN(C)CCC(CSC1=CC=CC=C1)NC2=CC=C(C=C2[N+]([O-])=O)[S](=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(C=CC=C5)C6=CC=C(Cl)C=C6",8.198,3,2,16]
["S1005","Axitinib (AG 013736)","b2","L8100-01","in 10mM DMSO","c-Kit,PDGFR,VEGFR","Protein Tyrosine Kinase","Axitinib (AG 013736) is a multi-target inhibitor of VEGFR1, VEGFR2, VEGFR3, PDGFRβ and c-Kit with IC50 of 0.1 nM, 0.2 nM, 0.1-0.3 nM, 1.6 nM and 1.7 nM in Porcine aorta endothelial cells, respectively.",386.47,"319460-85-0",{"v":35,"d":"35.00"},90.56,"<1","N/A","http://selleckchem.com/products/Axitinib.html","C22H18N4OS","free base","AG 013736","CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=N[NH]3)\\C=C\\C4=CC=CC=N4",4.492,3,2,5]
["S1013","Bortezomib (PS-341)","c2","L8100-01","in 10mM DMSO","Autophagy,Cathepsin B,Cysteine Protease,ERK,NF-κB,Proteasome","Proteases","Bortezomib (PS-341, Velcade, LDP-341, MLM341, NSC 681239) is a potent 20S proteasome inhibitor with Ki of 0.6 nM. It exhibits favorable selectivity towards tumor cells over normal cells. Bortezomib (PS-341) inhibits NF-κB and induces ERK phosphorylation to suppress cathepsin B and inhibit the catalytic process of autophagy in ovarian cancer and other solid tumors.",384.24,"179324-69-7",{"v":76,"d":"76.00"},197.79,"<1","N/A","http://selleckchem.com/products/Bortezomib.html","C19H25BN4O4","Free Base","Velcade, LDP-341, MLM341, NSC 681239,PS-341","CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)B(O)O",2.183,4,2,9]
["S1014","Bosutinib (SKI-606)","d2","L8100-01","in 10mM DMSO","Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT","Angiogenesis","Bosutinib (SKI-606) is a novel, dual Src/Abl inhibitor with IC50 of 1.2 nM and 1 nM in cell-free assays, respectively. Bosutinib also effectively decreases the activity of PI3K/AKT/mTOR, MAPK/ERK and JAK/STAT3 signaling pathways by blocking the phosphorylation levels of p-ERK, p-S6, and p-STAT3. Bosutinib promotes autophagy.",530.45,"380843-75-4",{"v":100,"d":"100.00"},188.52,"<1","N/A","http://selleckchem.com/products/Bosutinib.html","C26H29Cl2N5O3","free base","SKI-606","COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N",4.883,4,1,9]
["S1021","Dasatinib (BMS-354825)","e2","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src","Angiogenesis","Dasatinib (BMS-354825) is a novel, potent and multi-targeted inhibitor that targets Abl, Src and c-Kit, with IC50 of <1 nM, 0.8 nM and 79 nM in cell-free assays, respectively. Dasatinib induces autophagy and apoptosis with anti-tumor activity.",488.01,"302962-49-8",{"v":98,"d":"98.00"},200.82,"<1","N/A","http://selleckchem.com/products/Dasatinib.html","C22H26ClN7O2S","free base","BMS-354825","CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C",3.439,4,3,7]
["S1025","Gefitinib (ZD1839)","f2","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,EGFR","Protein Tyrosine Kinase","Gefitinib (ZD-1839, Iressa) is an EGFR inhibitor for Tyr1173, Tyr992, Tyr1173 and Tyr992 in the NR6wtEGFR and NR6W cells with IC50 of 37 nM, 37nM, 26 nM and 57 nM, respectively. Gefitinib promotes autophagy and apoptosis of lung cancer cells via blockade of the PI3K/AKT/mTOR pathway.",{"v":446.9,"d":"446.90"},"184475-35-2",{"v":89,"d":"89.00"},199.15,"<1","N/A","http://selleckchem.com/products/Gefitinib.html","C22H24ClFN4O3","free base","Iressa,ZD1839","COC1=C(OCCCN2CCOCC2)C=C3C(=NC=NC3=C1)NC4=CC=C(F)C(=C4)Cl",4.203,5,1,8]
["S1029","Lenalidomide (CC-5013)","g2","L8100-01","in 10mM DMSO","Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR","Ubiquitin","Lenalidomide (CC-5013) is a TNF-α secretion inhibitor with IC50 of 13 nM in PBMCs. Lenalidomide (CC-5013) is a ligand of ubiquitin E3 ligase cereblon (CRBN), and it causes selective ubiquitination and degradation of two lymphoid transcription factors, IKZF1 and IKZF3, by the CRBN-CRL4 ubiquitin ligase. Lenalidomide promotes cleaved caspase-3 expression and inhibit VEGF expression and induces apoptosis.",259.26,"191732-72-6",{"v":52,"d":"52.00"},200.57,"<1","N/A","https://www.selleckchem.com/products/lenalidomide-s1029.html","C13H13N3O3","free base","CC-5013","NC1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1",-0.515,3,2,1]
["S1033","Nilotinib (AMN-107)","h2","L8100-01","in 10mM DMSO","AMPK,Autophagy,Bcr-Abl","Angiogenesis","Nilotinib (AMN-107) is a selective Bcr-Abl inhibitor with IC50 less than 30 nM in Murine myeloid progenitor cells. Nilotinib induces autophagy through AMPK activition.",529.52,"641571-10-0",{"v":27,"d":"27.00"},50.99,"<1","N/A","http://selleckchem.com/products/Nilotinib.html","C28H22F3N7O","free base","AMN-107","CC1=C[N](C=N1)C2=CC(=CC(=C2)C(F)(F)F)NC(=O)C3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CN=CC=C5",5.084,5,2,7]
["S1039","Rapamycin (AY-22989)","a3","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR","PI3K/Akt/mTOR","Rapamycin (AY-22989, Rapamune, Sirolimus, NSC-2260804,AY-22989) is a specific mTOR inhibitor with IC50 of ~0.1 nM HEK293 cells.",914.18,"53123-88-9",{"v":20,"d":"20.00"},21.88,"<1","N/A","http://selleckchem.com/products/Rapamycin.html","C51H79NO13","free base","Rapamune, Sirolimus, NSC-2260804,AY-22989","COC1CC(CCC1O)CC(C)C2CC(=O)C(C)\\C=C(/C)C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C(C)/C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC",6.295,10,2,6]
["S1044","Temsirolimus (CCI-779)","b3","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,mTOR","PI3K/Akt/mTOR","Temsirolimus (CCI-779, NSC 683864) is a specific mTOR inhibitor with IC50 of 1.76 μM in a cell-free assay. Temsirolimus induces autophagy and apoptosis.",1030.29,"162635-04-3",{"v":67,"d":"67.00"},65.03,"<1","N/A","http://selleckchem.com/products/Temsirolimus.html","C56H87NO16","free base","NSC 683864,CCI-779","COC1CC(CCC1OC(=O)C(C)(CO)CO)CC(C)C2CC(=O)C(C)\\C=C(C)\\C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C(C)/C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC",6.039,12,3,11]
["S1057","Obatoclax Mesylate (GX15-070)","c3","L8100-01","in 10mM DMSO","Autophagy,Bcl-2","Apoptosis","Obatoclax Mesylate (GX15-070) is an antagonist of Bcl-2 with Ki of 0.22 μM in a cell-free assay, can assist in overcoming MCL-1 mediated resistance to apoptosis.",413.49,"803712-79-0",{"v":83,"d":"83.00"},200.73,"<1","N/A","http://selleckchem.com/products/Obatoclax-Mesylate.html","C20H19N3O.CH4O3S","Mesylate","N/A","COC\\1=CC(=NC1=C\\C2=C(C)C=C(C)[NH]2)C3=CC4=CC=CC=C4[NH]3.C[S](O)(=O)=O",3.757,2,2,3]
["S1060","Olaparib (AZD2281)","d3","L8100-01","in 10mM DMSO","Autophagy,Mitophagy,PARP","DNA Damage/DNA Repair","Olaparib (AZD2281, KU0059436) is a selective inhibitor of PARP1/2 with IC50 of 5 nM/1 nM in cell-free assays, 300-times less effective against tankyrase-1. Olaparib induces significant autophagy that is associated with mitophagy in cells with BRCA mutations.",434.46,"763113-22-0",{"v":86,"d":"86.00"},197.95,"N/A","N/A","http://selleckchem.com/products/AZD2281(Olaparib).html","C24H23FN4O3","free base","Ku-0059436","FC1=C(C=C(CC2=NNC(=O)C3=C2C=CC=C3)C=C1)C(=O)N4CCN(CC4)C(=O)C5CC5",2.127,4,1,4]
["S1061","Nutlin-3","e3","L8100-01","in 10mM DMSO","E3 Ligase ,MDM2/MDMX","Apoptosis","Nutlin-3 is a potent and selective Mdm2 (RING finger-dependent ubiquitin protein ligase for itself and p53) antagonist with IC50 of 90 nM in a cell-free assay; stabilizes p73 in p53-deficient cells.",{"v":581.5,"d":"581.50"},"890090-75-2",{"v":100,"d":"100.00"},171.97,"<1","N/A","http://selleckchem.com/products/Nutlin-3.html","C30H30Cl2N4O4","free base","N/A","COC1=CC(=C(C=C1)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5)OC(C)C",5.434,5,1,6]
["S1068","Crizotinib (PF-02341066)","f3","L8100-01","in 10mM DMSO","ALK,Autophagy,c-Met,ROS1","Protein Tyrosine Kinase","Crizotinib (PF-02341066) is a potent inhibitor of c-Met and ALK with IC50 of 11 nM and 24 nM in cell-based assays, respectively. It is also a potent ROS1 inhibitor with Ki value less than 0.025 nM. Crizotinib induces autophagy through inhibition of the STAT3 pathway in multiple lung cancer cell lines.",450.34,"877399-52-5",{"v":9,"d":"9.00"},19.98,"<1","N/A","http://selleckchem.com/products/PF-2341066.html","C21H22Cl2FN5O","free base","PF-02341066","CC(OC1=C(N)N=CC(=C1)C2=C[N](N=C2)C3CCNCC3)C4=C(Cl)C=CC(=C4Cl)F",3.693,3,2,5]
["S1069","Luminespib (NVP-AUY922)","g3","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,HSP (HSP90),IGF-1R","Cytoskeletal Signaling","Luminespib (AUY-922, NVP-AUY922, VER-52296) is a highly potent HSP90 inhibitor for HSP90α/β with IC50 of 13 nM /21 nM in cell-free assays, weaker potency against the HSP90 family members GRP94 and TRAP-1, exhibits the tightest binding of any small-molecule HSP90 ligand. Luminespib (AUY-922, NVP-AUY922) effectively downregulates and destabilizes the IGF-1Rβ protein and results in growth inhibition, autophagy and apoptosis. Phase 2.",465.54,"747412-49-3",{"v":93,"d":"93.00"},199.77,"<1","N/A","http://selleckchem.com/products/NVP-AUY922.html","C26H31N3O5","free base","AUY-922, VER-52296","CCNC(=O)C1=NOC(=C1C2=CC=C(CN3CCOCC3)C=C2)C4=CC(=C(O)C=C4O)C(C)C",4.069,4,3,7]
["S1119","Cabozantinib (BMS-907351)","h3","L8100-01","in 10mM DMSO","Apoptosis related,Axl,c-Met,VEGFR","Protein Tyrosine Kinase","Cabozantinib (XL184, BMS-907351) is a potent VEGFR2 inhibitor with IC50 of 0.035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM in cell-free assays, respectively. Cabozantinib induces PUMA-dependent apoptosis in colon cancer cells via AKT/GSK-3β/NF-κB signaling pathway.",501.51,"849217-68-1",{"v":100,"d":"100.00"},{"v":199.4,"d":"199.40"},"<1","N/A","http://selleckchem.com/products/XL184.html","C28H24FN3O5","Free Base","XL184,BMS-907351","COC1=CC2=C(C=C1OC)C(=CC=N2)OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3",4.342,6,2,8]
["S1130","Sepantronium Bromide","a4","L8100-01","in 10mM DMSO","Autophagy,IAP,Survivin","Apoptosis","Sepantronium Bromide(YM155) is a potent survivin suppressant by inhibiting Survivin promoter activity with IC50 of 0.54 nM in HeLa-SURP-luc and CHO-SV40-luc cells; does not significantly inhibit SV40 promoter activity, but is observed to slightly inhibit the interaction of Survivin with XIAP. YM155 down-regulates survivin and XIAP, modulates autophagy and induces autophagy-dependent DNA damage in breast cancer cells. Phase 2.",443.29,"781661-94-7",{"v":55,"d":"55.00"},124.07,{"v":89,"d":"89.00"},200.77,"http://selleckchem.com/products/YM155.html","C20H19BrN4O3","Bromide","YM155","[Br-].COCC[N]1C(=[N+](CC2=CN=CC=N2)C3=C1C(=O)C4=C(C=CC=C4)C3=O)C",-0.733,5,0,5]
["S1141","Tanespimycin (17-AAG)","b4","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,HSP (HSP90),Mitophagy","Cytoskeletal Signaling","Tanespimycin (17-AAG, CP127374, NSC-330507, KOS 953) is a potent HSP90 inhibitor with IC50 of 5 nM in a cell-free assay, having a 100-fold higher binding affinity for HSP90 derived from tumour cells than HSP90 from normal cells. Tanespimycin (17-AAG) induces apoptosis, necrosis, autophagy and mitophagy. Phase 3.",585.69,"75747-14-7",{"v":100,"d":"100.00"},170.74,"<1","N/A","http://selleckchem.com/products/17-AAG(Geldanamycin).html","C31H43N3O8","free base","CP127374, NSC-330507, KOS 953","COC1CC(C)CC2=C(NCC=C)C(=O)C=C(NC(=O)C(=C\\C=C/C(OC)C(OC(N)=O)/C(=C/C(C)C1O)C)\\C)C2=O",2.524,7,4,7]
["S1148","Docetaxel (RP56976)","c4","L8100-01","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Docetaxel (RP56976, NSC 628503), an analog of paclitaxel, is an inhibitor of depolymerisation of microtubules by binding to stabilized microtubules.",807.88,"114977-28-5",{"v":100,"d":"100.00"},123.78,"<1","N/A","http://selleckchem.com/products/Docetaxel(Taxotere).html","C43H53NO14","Free Base","NSC 628503,RP56976","CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)C4=CC=CC=C4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C6=CC=CC=C6)C(=C(C(O)C3=O)C5(C)C)C",2.586,10,4,13]
["S1150","Paclitaxel (NSC 125973)","d4","L8100-01","in 10mM DMSO","ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated","Cytoskeletal Signaling","Paclitaxel (NSC 125973, PTX, Taxol, Onxal, Abraxane) is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells.",853.91,"33069-62-4",{"v":171,"d":"171.00"},200.26,"<1","N/A","http://selleckchem.com/products/Paclitaxel(Taxol).html","C47H51NO14","free base","PTX, Taxol, Onxal, Abraxane,NSC 125973","CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)C4=CC=CC=C4)C5(O)CC(OC(=O)C(O)C(NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=C1C5(C)C)C",3.055,11,3,14]
["S1163","Onalespib (AT13387)","e4","L8100-01","in 10mM DMSO","HSP (HSP90)","Cytoskeletal Signaling","Onalespib (AT13387) is a selective potent Hsp90 inhibitor with IC50 of 18 nM in A375 cells, displays a long duration of anti-tumor activity. Phase 2.",409.52,"912999-49-6",{"v":25,"d":"25.00"},61.05,"<1","N/A","http://selleckchem.com/products/at13387.html","C24H31N3O3","free base","N/A","CC(C)C1=C(O)C=C(O)C(=C1)C(=O)N2CC3=C(C2)C=C(CN4CCN(C)CC4)C=C3",3.322,1,2,4]
["S1164","Lenvatinib (E7080)","f4","L8100-01","in 10mM DMSO","c-Kit,c-RET,FGFR,PDGFR,VEGFR","Protein Tyrosine Kinase","Lenvatinib (E7080) is a multi-target inhibitor, mostly for VEGFR2(KDR)/VEGFR3(Flt-4) with IC50 of 4 nM/5.2 nM, less potent against VEGFR1/Flt-1, ~10-fold more selective for VEGFR2/3 against FGFR1, PDGFRα/β in cell-free assays. Lenvatinib (E7080) also inhibits FGFR1-4, PDGFR, Kit (c-Kit), RET (c-RET), and shows potent antitumor activities. Phase 3.",426.85,"417716-92-8",{"v":40,"d":"40.00"},93.71,"<1","N/A","http://selleckchem.com/products/E7080.html","C21H19ClN4O4","free base","N/A","COC1=C(C=C2C(=CC=NC2=C1)OC3=CC(=C(NC(=O)NC4CC4)C=C3)Cl)C(N)=O",2.832,5,3,6]
["S1165","ABT-751 (E7010)","g4","L8100-01","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","ABT-751 (E7010) binds to the colchicine site on β-tubulin and inhibits polymerization of microtubules, not a substrate for the MDR transporter and is active against cell lines resistant to vincristine, doxorubicin, and cisplatin. Phase 1/2.",371.41,"141430-65-1",{"v":74,"d":"74.00"},199.24,"<1","N/A","http://selleckchem.com/products/ABT-751.html","C18H17N3O4S","free base","N/A","COC1=CC=C(C=C1)[S](=O)(=O)NC2=C(NC3=CC=C(O)C=C3)N=CC=C2",2.997,4,3,6]
["S1172","Serdemetan (JNJ-26854165)","h4","L8100-01","in 10mM DMSO","E3 Ligase ,p53","Apoptosis","Serdemetan (JNJ-26854165) acts as a HDM2 ubiquitin ligase antagonist and also induces early apoptosis in p53 wild-type cells, inhibits cellular proliferation followed by delayed apoptosis in the absence of functional p53. Phase 1.",328.41,"881202-45-5",{"v":66,"d":"66.00"},200.97,"<1","N/A","http://selleckchem.com/products/JNJ-26854165.html","C21H20N4","free base","N/A","C(CC1=C[NH]C2=CC=CC=C12)NC3=CC=C(NC4=CC=NC=C4)C=C3",4.236,1,3,6]
["S1175","BIIB021","a5","L8100-01","in 10mM DMSO","HSP (HSP90)","Cytoskeletal Signaling","BIIB021 (CNF2024) is an orally available, fully synthetic small-molecule inhibitor of HSP90 with Ki and EC50 of 1.7 nM and 38 nM, respectively. Phase 2.",318.76,"848695-25-0",{"v":64,"d":"64.00"},200.78,"<1","N/A","http://selleckchem.com/products/BIIB021.html","C14H15ClN6O","free base","CNF2024","COC1=C(C)C=NC(=C1C)C[N]2C=NC3=C(Cl)N=C(N)N=C23",2.223,5,1,3]
["S1178","Regorafenib (BAY 73-4506)","b5","L8100-01","in 10mM DMSO","Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR","Protein Tyrosine Kinase","Regorafenib (BAY 73-4506,Fluoro-Sorafenib, Resihance, Stivarga) is a multi-target inhibitor for VEGFR1, VEGFR2, VEGFR3, PDGFRβ, Kit (c-Kit), RET (c-RET) and Raf-1 with IC50 of 13 nM/4.2 nM/46 nM, 22 nM, 7 nM, 1.5 nM and 2.5 nM in cell-free assays, respectively. Regorafenib induces autophagy.",482.82,"755037-03-7",{"v":97,"d":"97.00"},{"v":200.9,"d":"200.90"},"<1","N/A","http://selleckchem.com/products/BAY-73-4506.html","C21H15ClF4N4O3","free base","Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506","CNC(=O)C1=CC(=CC=N1)OC2=CC(=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)F",4.381,4,3,6]
["S1185","Ritonavir (ABT-538)","c5","L8100-01","in 10mM DMSO","Apoptosis related,COVID-19,HIV Protease,P450 (e.g. CYP17)","Proteases","Ritonavir (ABT-538, A 84538, RTV, Norvir, Norvir Softgel) is a Cytochrome P450 3A and Protease Inhibitor; Also inhibits Cytochrome P450 2D6, P-Glycoprotein and induces Cytochrome P450 2C19, Cytochrome P450 1A2, Cytochrome P450 2C9, Cytochrome P450 2B6 and UDP Glucuronosyltransferases. Ritonavir induces apoptosis.",720.94,"155213-67-5",{"v":100,"d":"100.00"},138.71,"<1","N/A","http://selleckchem.com/products/Ritonavir.html","C37H48N6O5S2","free base","ABT-538,A 84538, RTV, Norvir, Norvir Softgel","CC(C)C(NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)NC(CC(O)C(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4",4.978,6,4,18]
["S1192","Raltitrexed","d5","L8100-01","in 10mM DMSO","DNA/RNA Synthesis,Thymidylate Synthase","DNA Damage/DNA Repair","Raltitrexed (ZD-1694) is a thymidylate synthase inhibitor with an IC50 of 9 nM for the inhibition of L1210 cell growth.",458.49,"112887-68-0",{"v":91,"d":"91.00"},198.48,"<1","N/A","http://selleckchem.com/products/Raltitrexed.html","C21H22N4O6S","free base","ZD-1694, ICI-D1694, D1694","CN(CC1=CC2=C(C=C1)N=C(C)NC2=O)C3=CC=C(S3)C(=O)NC(CCC(O)=O)C(O)=O",1.528,5,2,9]
["S1216","PFI-1 (PF-6405761)","e5","L8100-01","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","PFI-1 (PF-6405761) is a highly selective BET (bromodomain-containing protein) inhibitor for BRD4 with IC50 of 0.22 μM and for BRD2 with IC50 of 98 nM in a cell-free assay.",347.39,"1403764-72-6",{"v":69,"d":"69.00"},198.62,"<1","N/A","http://selleckchem.com/products/pfl-1.html","C16H17N3O4S","free base","N/A","COC1=C(C=CC=C1)[S](=O)(=O)NC2=CC=C3NC(=O)N(C)CC3=C2",1.376,4,2,4]
["S1233","2-Methoxyestradiol (2-MeOE2)","f5","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,HIF,Microtubule Associated","Angiogenesis","2-Methoxyestradiol (2-MeOE2, NSC 659853, 2-ME2) depolymerizes microtubules and blocks HIF-1α nuclear accumulation and HIF-transcriptional activity. 2-Methoxyestradiol induces both autophagy and apoptosis in various carcinogenic cell lines.",302.41,"362-07-2",{"v":60,"d":"60.00"},198.41,"<1","N/A","http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html","C19H26O3","free base","NSC 659853, 2-ME2","COC1=C(O)C=C2CCC3C(CCC4(C)C(O)CCC34)C2=C1",3.821,1,2,1]
["S1241","Vincristine (NSC-67574) sulfate","g5","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated","Cytoskeletal Signaling","Vincristine sulfate (NSC-67574, Leurocristine, Oncovin, 22-Oxovincaleukoblastine) is an inhibitor of polymerization of microtubules by binding to tubulin with IC50 of 32 μM in a cell-free assay. Vincristine sulfate induces apoptosis.",923.04,"2068-78-2",{"v":100,"d":"100.00"},108.34,{"v":60,"d":"60.00"},{"v":65,"d":"65.00"},"http://selleckchem.com/products/Vincristine-Sulfate.html","C46H58N4O14S","free base","Leurocristine, Oncovin, NSC-67574, 22-Oxovincaleukoblastine","CCC1(O)CC2CN(CCC3=C([NH]C4=C3C=CC=C4)C(C2)(C(=O)OC)C5=CC6=C(C=C5OC)N(C=O)C7C(O)(C(OC(C)=O)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1.O[S](O)(=O)=O",3.365,8,1,10]
["S1267","Vemurafenib (PLX4032)","h5","L8100-01","in 10mM DMSO","Autophagy,Raf","MAPK","Vemurafenib (PLX4032, RG7204, RO5185426) is a novel and potent inhibitor of B-RafV600E with IC50 of 31 nM in cell-free assay. 10-fold selective for B-RafV600E over wild-type B-Raf in enzymatic assays and the cellular selectivity can exceed 100-fold. Vemurafenib (PLX4032, RG7204) induces autophagy.",489.92,"918504-65-1",{"v":97,"d":"97.00"},197.99,"<1","N/A","http://selleckchem.com/products/PLX-4032.html","C23H18ClF2N3O3S","free base","RG7204, RO5185426,PLX4032","CCC[S](=O)(=O)NC1=CC=C(F)C(=C1F)C(=O)C2=C[NH]C3=NC=C(C=C23)C4=CC=C(Cl)C=C4",4.953,4,2,7]
["S1291","Cetirizine DiHCl","a6","L8100-01","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Cetirizine DiHCl (Zyrtec, Reactine,UCB P071) is an antihistamine.",461.81,"83881-52-1",{"v":92,"d":"92.00"},199.22,{"v":92,"d":"92.00"},199.22,"http://selleckchem.com/products/Cetirizine-Dihydrochloride.html","C21H25ClN2O3.2HCl","Dihydrochloride","Zyrtec, Reactine,UCB P071","Cl.Cl.OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3",1.217,2,0,8]
["S1293","Cilnidipine (FRC-8653)","b6","L8100-01","in 10mM DMSO","Calcium Channel","Transmembrane Transporters","Cilnidipine (FRC-8653) is a unique L-type and N-type calcium channel blocker, used for high blood pressure treatment.",492.52,"132203-70-4",{"v":99,"d":"99.00"},201.01,"<1","N/A","http://selleckchem.com/products/Cilnidipine.html","C27H28N2O7","free base","FRC-8653","COCCOC(=O)C1=C(C)NC(=C(C1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC\\C=C\\C3=CC=CC=C3)C",3.686,5,1,12]
["S1297","Epothilone A","c6","L8100-01","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Epothilone A is a paclitaxel-like microtubule-stabilizing agent with EC0.01 of 2 μM.",493.66,"152044-53-6",{"v":99,"d":"99.00"},200.54,"<1","N/A","http://selleckchem.com/products/Epothilone-A.html","C26H39NO6S","free base","N/A","CC1CCCC2OC2CC(OC(=O)CC(O)C(C)(C)C(=O)C(C)C1O)\\C(C)=C\\C3=CSC(=N3)C",3.574,5,2,2]
["S1334","Flupirtine maleate","d6","L8100-01","in 10mM DMSO","DNA/RNA Synthesis","DNA Damage/DNA Repair","Flupirtine maleate is the salt form of Flupirtine, which is a centrally acting non-opioid analgesia, is a selective neuronal potassium channel opener that also has NMDA receptor antagonist properties.",420.39,"75507-68-5",{"v":84,"d":"84.00"},199.81,"<1","N/A","http://selleckchem.com/products/Flupirtine-maleate.html","C15H17FN4O2.C4H4O4","Maleate","N/A","CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1.OC(=O)\\C=C\\C(O)=O",{"v":2.76,"d":"2.760"},5,3,8]
["S1344","Glimepiride","e6","L8100-01","in 10mM DMSO","Potassium Channel","Transmembrane Transporters","Glimepiride(HOE-490) is a potent Kir6.2/SUR inhibitor with IC50 of 3.0 nM, 5.4 nM, and 7.3 nM for SUR1, SUR2A and SUR2B, used in the treatment of type 2 diabetes mellitus.",490.62,"93479-97-1",{"v":11,"d":"11.00"},22.42,"<1","N/A","http://selleckchem.com/products/Glimepiride.html","C24H34N4O5S","free base","HOE-490","CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)[S](=O)(=O)NC(=O)NC3CCC(C)CC3)C1=O",3.781,5,3,7]
["S1358","Loratadine (SCH29851)","f6","L8100-01","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Loratadine (Alavert,Claritin,SCH29851) is a histamine H1 receptor antagonist, used to treat allergies. Also acts as a selective inhibitor of B(0)AT2 with IC50 of 4 μM.",382.88,"79794-75-5",{"v":17,"d":"17.00"},{"v":44.4,"d":"44.40"},"<1","N/A","http://selleckchem.com/products/Loratadine.html","C22H23ClN2O2","free base","Alavert,Claritin,SCH29851","CCOC(=O)N1CCC(CC1)=C2C3=C(CCC4=C2N=CC=C4)C=C(Cl)C=C3",{"v":5,"d":"5.000"},3,0,2]
["S1378","Ruxolitinib (INCB018424)","g6","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,JAK,Mitophagy","JAK/STAT","Ruxolitinib (INCB018424) is the first potent, selective, JAK1/2 inhibitor to enter the clinic with IC50 of 3.3 nM/2.8 nM in cell-free assays, >130-fold selectivity for JAK1/2 versus JAK3. Ruxolitinib kills tumor cells through toxic mitophagy. Ruxolitinib induces autophagy and enhances apoptosis.",306.37,"941678-49-5",{"v":61,"d":"61.00"},199.11,"<1","N/A","http://selleckchem.com/products/INCB18424.html","C17H18N6","free base","INCB018424","N#CCC(C1CCCC1)[N]2C=C(C=N2)C3=NC=NC4=C3C=C[NH]4",{"v":2.88,"d":"2.880"},3,1,4]
["S1380","Lopinavir (ABT-378)","h6","L8100-01","in 10mM DMSO","COVID-19,HIV Protease","Proteases","Lopinavir (ABT-378) is a potent HIV protease inhibitor with Ki of 1.3 pM in a cell-free assay.",{"v":628.8,"d":"628.80"},"192725-17-0",{"v":126,"d":"126.00"},200.38,"<1","N/A","http://selleckchem.com/products/Lopinavir.html","C37H48N4O5","free base","ABT-378","CC(C)C(N1CCCNC1=O)C(=O)NC(CC(O)C(CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4",4.926,4,4,15]
["S1393","Pirarubicin (NSC-333054)","a7","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Topoisomerase","DNA Damage/DNA Repair","Pirarubicin (NSC-333054,THP) is an anthracycline antibiotic, and also a DNA/RNA synthesis inhibitor by intercalating into DNA and interacts with topoisomerase II, used as an antineoplastic agent.",627.64,"72496-41-4",{"v":7,"d":"7.00"},11.15,"<1","N/A","http://selleckchem.com/products/Pirarubicin.html","C32H37NO12","free base","NSC-333054,THP","COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(CC(O)(CC4OC5CC(N)C(OC6CCCCO6)C(C)O5)C(=O)CO)C(=C3C2=O)O",1.091,8,4,7]
["S1403","Tigecycline (GAR-936)","b7","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Bacterial","Microbiology","Tigecycline (Tygacil, GAR-936, WAY-GAR-936, TBG-MINO) is bacteriostatic and is a protein synthesis inhibitor by binding to the 30S ribosomal subunit of bacteria and thereby blocking entry of Aminoacyl-tRNA into the A site of the ribosome during prokaryotic translation. Tigecycline induces autophagy by downregulating the PI3K-AKT-mTOR pathway.",585.65,"220620-09-7",{"v":100,"d":"100.00"},170.75,{"v":100,"d":"100.00"},170.75,"http://selleckchem.com/products/Tigecycline.html","C29H39N5O8","free base","Tygacil, GAR-936, WAY-GAR-936, TBG-MINO","CN(C)C1C2CC3CC4=C(C(=C(NC(=O)CNC(C)(C)C)C=C4N(C)C)O)C(=O)C3=C(O)C2(O)C(=O)C(=C1O)C(N)=O",-0.381,4,6,7]
["S1490","Ponatinib (AP24534)","c7","L8100-01","in 10mM DMSO","Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR","Angiogenesis","Ponatinib (AP24534) is a novel, potent multi-target inhibitor of Abl, PDGFRα, VEGFR2, FGFR1 and Src with IC50 of 0.37 nM, 1.1 nM, 1.5 nM, 2.2 nM and 5.4 nM in cell-free assays, respectively. Ponatinib (AP24534) inhibits autophagy.",532.56,"943319-70-8",{"v":30,"d":"30.00"},56.33,"<1","N/A","http://selleckchem.com/products/AP24534.html","C29H27F3N6O","free base","AP24534","CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F",4.884,3,1,7]
["S1538","Telaprevir (VX-950)","d7","L8100-01","in 10mM DMSO","COVID-19,HCV Protease","Proteases","Telaprevir (VX-950, LY-570310, MP-424) is an HCV NS3-4A serine protease inhibitor with IC50 of 0.35 μM.",679.85,"402957-28-2",{"v":136,"d":"136.00"},200.04,"<1","N/A","http://selleckchem.com/products/Telaprevir(VX-950).html","C36H53N7O6","free base","LY-570310, MP-424,VX-950","CCCC(NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)C(NC(=O)C3=NC=CN=C3)C4CCCCC4)C(C)(C)C)C(=O)C(=O)NC5CC5",2.685,8,4,14]
["S1567","Pomalidomide (CC-4047)","e7","L8100-01","in 10mM DMSO","Apoptosis related,E3 Ligase ,E3 ligase Ligand,TNF-alpha","Ubiquitin","Pomalidomide (CC-4047) inhibits LPS-induced TNF-α release with IC50 of 13 nM in PBMCs. Pomalidomide can be utilized in PROTAC as a ligand for targeting E3 ligase and inhibiting the E3 ligase protein cereblon (CRBN). Pomalidomide promotes apoptosis and cell cycle arrest.",273.24,"19171-19-8",{"v":54,"d":"54.00"},197.63,"<1","N/A","http://selleckchem.com/products/Pomalidomide(CC-4047).html","C13H11N3O4","free base","CC-4047","NC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1",{"v":-0.65,"d":"-0.650"},4,2,1]
["S1593","Apixaban (BMS 562247-01)","f7","L8100-01","in 10mM DMSO","Factor Xa","Metabolism","Apixaban (BMS 562247-01) is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively.",{"v":459.5,"d":"459.50"},"503612-47-3",{"v":18,"d":"18.00"},39.17,"<1","N/A","http://selleckchem.com/products/Apixaban(BMS-562247-01).html","C25H25N5O4","free base","BMS 562247-01","COC1=CC=C(C=C1)[N]2N=C(C(N)=O)C3=C2C(=O)N(CC3)C4=CC=C(C=C4)N5CCCCC5=O",2.865,5,1,5]
["S1606","Clotrimazole","g7","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Fungal","Microbiology","Clotrimazole (BAY b 5097, FB 5097) alters the permeability of the fungal cell wall by inhibiting the biosynthesis of ergosterol, used in the treatment of fungal infections.",344.84,"23593-75-1",{"v":11,"d":"11.00"},{"v":31.9,"d":"31.90"},"<1","N/A","http://selleckchem.com/products/Clotrimazole(Canesten).html","C22H17ClN2","free base","BAY b 5097, FB 5097","ClC1=C(C=CC=C1)C([N]2C=CN=C2)(C3=CC=CC=C3)C4=CC=CC=C4",5.222,1,0,4]
["S1618","Sulfameter","h7","L8100-01","in 10mM DMSO","Bacterial","Immunology & Inflammation","Sulfameter  is a long-acting sulfonamide antibacterial.",{"v":280.3,"d":"280.30"},"651-06-9",{"v":56,"d":"56.00"},199.79,"<1","N/A","http://selleckchem.com/products/Sulfameter(Bayrena).html","C11H12N4O3S","free base","N/A","COC1=CN=C(N[S](=O)(=O)C2=CC=C(N)C=C2)N=C1",0.297,5,2,4]
["S1633","Zafirlukast (ICI-204219)","a8","L8100-01","in 10mM DMSO","LTR","Immunology & Inflammation","Zafirlukast (ICI-204219) is an oral leukotriene receptor antagonist (LTRA), used to prevent asthma symptoms.",575.68,"107753-78-6",{"v":100,"d":"100.00"},173.71,"<1","N/A","http://selleckchem.com/products/Zafirlukast(Accolate).html","C31H33N3O6S","free base","ICI-204219","COC1=CC(=CC=C1CC2=C[N](C)C3=C2C=C(NC(=O)OC4CCCC4)C=C3)C(=O)N[S](=O)(=O)C5=CC=CC=C5C",6.299,6,2,9]
["S1635","Erythromycin","b8","L8100-01","in 10mM DMSO","Antibiotics,Antibiotics for Mammalian Cell Culture","Microbiology","Erythromycin (E-Mycin) is a macrolide antibiotic that has an antimicrobial spectrum similar to or slightly wider than that of penicillin (IC50=1.5 μg/ml).",733.93,"114-07-8",{"v":147,"d":"147.00"},200.29,{"v":3,"d":"3.00"},4.09,"http://selleckchem.com/products/Erythromycin(E-Mycin).html","C37H67NO13","Free Base","E-Mycin","CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O",1.792,8,3,7]
["S1639","Amprenavir (VX-478)","c8","L8100-01","in 10mM DMSO","HIV Protease","Proteases","Amprenavir (VX-478, 141W94, KVX-478) is a potent PXR-selective agonist, and an HIV protease inhibitor, used to treat HIV.",505.63,"161814-49-9",{"v":16,"d":"16.00"},31.64,"<1","N/A","http://selleckchem.com/products/Amprenavir-(Agenerase).html","C25H35N3O6S","free base","141W94, VX-478, KVX-478","CC(C)CN(CC(O)C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)[S](=O)(=O)C3=CC=C(N)C=C3",2.429,5,3,12]
["S1640","Albendazole (SKF-62979)","d8","L8100-01","in 10mM DMSO","ADC Cytotoxin,Microtubule Associated","Cytoskeletal Signaling","Albendazole (SKF-62979) is a member of the benzimidazole compounds used as a drug indicated for the treatment of a variety of worm infestations.",265.33,"54965-21-8",{"v":17,"d":"17.00"},64.07,"<1","N/A","http://selleckchem.com/products/Albendazole(Albenza).html","C12H15N3O2S","free base","SKF-62979","CCCSC1=CC=C2N=C(NC(=O)OC)[NH]C2=C1",3.065,3,2,5]
["S1643","Ursodiol","e8","L8100-01","in 10mM DMSO","FXR","GPCR & G Protein","Ursodiol (Ursodeoxycholic acid, UDCA) reduces cholesterol absorption and is used to dissolve (cholesterol) gallstones. (IC50=0.22 μM)",392.57,"128-13-2",{"v":79,"d":"79.00"},201.24,"<1","N/A","http://selleckchem.com/products/Ursodiol(Actigal).html","C24H40O4","free base","Ursodeoxycholic acid, UDCA","CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C",4.014,1,2,4]
["S1657","Enalaprilat Dihydrate","f8","L8100-01","in 10mM DMSO","RAAS","Endocrinology & Hormones","Enalaprilat (MK-422) is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 1.94 nM.",{"v":348.4,"d":"348.40"},"84680-54-6",{"v":70,"d":"70.00"},200.92,"<1","N/A","http://selleckchem.com/products/Enalaprilat.html","C18H24N2O5.2H2O","Dihydrate","MK-422 Dihydrate","O.O.CC(NC(CCC1=CC=CC=C1)C(O)=O)C(=O)N2CCCC2C(O)=O",{"v":-1.53,"d":"-1.530"},3,1,8]
["S1786","Verteporfin (CL 318952)","g8","L8100-01","in 10mM DMSO","Apoptosis related,Autophagy,TEAD,VDA,YAP","Angiogenesis","Verteporfin (CL 318952, Visudyne) is a small molecule that inhibits TEAD–YAP association and YAP-induced liver overgrowth.  It is also a potent second-generation photosensitizing agent derived from porphyrin. Verteporfin is an autophagy inhibitor. Verteporfin inhibits cell proliferation and induces apoptosis.",718.79,"129497-78-5",{"v":100,"d":"100.00"},139.12,"<1","N/A","http://selleckchem.com/products/Verteporfin(Visudyne).html","C41H42N4O8","free base","CL 318952, Visudyne","COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=C(C)C(=C([NH]4)C=C5N=C(C=C1[NH]2)C(=C5C)CCC(O)=O)C=C)C6=CC=C(C(C(=O)OC)C36C)C(=O)OC",7.789,9,2,12]
["S1793","Ramipril","h8","L8100-01","in 10mM DMSO","ACE,RAAS","Endocrinology & Hormones","Ramipril(HOE-498) is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 5 nM.",416.51,"87333-19-5",{"v":83,"d":"83.00"},199.27,"<1","N/A","http://selleckchem.com/products/Ramipril(Altace).html","C23H32N2O5","free base","HOE-498","CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(O)=O",0.308,4,1,10]
["S1835","Azithromycin (CP-62993)","a9","L8100-01","in 10mM DMSO","Antibiotics,Antibiotics for Mammalian Cell Culture,Autophagy,Bacterial,COVID-19","Autophagy","Azithromycin (CP-62993, XZ-450) is an antibiotic by inhibiting protein synthesis, used for the treatment of bacterial infections.",748.98,"83905-01-5",{"v":100,"d":"100.00"},133.51,"<1","N/A","http://selleckchem.com/products/azithromycin-zithromax.html","C38H72N2O12","Free Base","XZ-450,CP-62993","CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O",2.078,7,3,7]
["S1890","Nizatidine","b9","L8100-01","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Nizatidine is a histamine H2 receptor antagonist with IC50 of 0.9 nM, also inhibits AChE with IC50 of 6.7 μM.",331.46,"76963-41-2",{"v":66,"d":"66.00"},199.12,{"v":28,"d":"28.00"},84.47,"http://selleckchem.com/products/Nizatidine(Axid).html","C12H21N5O2S2","free base","N/A","CNC(/NCCSCC1=CSC(=N1)CN(C)C)=C/[N+]([O-])=O",0.643,1,2,10]
["S1913","Tropicamide","c9","L8100-01","in 10mM DMSO","AChR","Neuronal Signaling","Tropicamide(Ro 1-7683) is an anticholinergic and a muscarinic receptor subtype M4-preferring antagonist with IC50 of 8.0 nM.",284.35,"1508-75-4",{"v":57,"d":"57.00"},200.46,"<1","N/A","http://selleckchem.com/products/tropicamide.html","C17H20N2O2","free base","Ro 1-7683","CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2",1.432,2,1,6]
["S1937","Isoniazid","d9","L8100-01","in 10mM DMSO","Fatty Acid Synthase","Metabolism","Isoniazid is a prodrug that blocks the action of fatty acid synthase by interacting with KatG , used for the prevention and treatment of tuberculosis.",137.14,"54-85-3",{"v":27,"d":"27.00"},196.88,{"v":27,"d":"27.00"},196.88,"http://selleckchem.com/products/Isoniazid(Tubizid).html","C6H7N3O","free base","N/A","NNC(=O)C1=CC=NC=C1",-0.811,2,2,1]
["S1956","Miconazole Nitrate","e9","L8100-01","in 10mM DMSO","Fungal","Microbiology","Miconazole (NSC 169434) Nitrate is an imidazole antifungal agent by inhibiting ergosterol biosynthesis and inducing ROS, used to treat vaginal yeast infections.",479.14,"22832-87-7",{"v":96,"d":"96.00"},200.36,"<1","N/A","http://selleckchem.com/products/Miconazole-nitrate.html","C18H14Cl4N2O.HNO3","Nitrate","NSC 169434 Nitrate","O[N+]([O-])=O.ClC1=CC=C(COC(C[N]2C=CN=C2)C3=CC=C(Cl)C=C3Cl)C(=C1)Cl",4.387,2,0,6]
["S2001","Elvitegravir (JTK-303)","f9","L8100-01","in 10mM DMSO","Integrase","Microbiology","Elvitegravir (GS-9137,JTK-303,D06677) is an HIV integrase inhibitor for HIV-1 IIIB, HIV-2 EHO and HIV-2 ROD with IC50 of 0.7 nM, 2.8 nM and 1.4 nM in cell-free assays, respectively.",447.88,"697761-98-1",{"v":89,"d":"89.00"},198.71,"<1","N/A","http://selleckchem.com/products/Elvitegravir.html","C23H23ClFNO5","free base","GS-9137,JTK-303,D06677","COC1=CC2=C(C=C1CC3=C(F)C(=CC=C3)Cl)C(=O)C(=CN2C(CO)C(C)C)C(O)=O",4.665,3,1,7]
["S2003","Maraviroc (UK-427857)","g9","L8100-01","in 10mM DMSO","CCR,HIV","Microbiology","Maraviroc (Celsentri,UK-427857) is a CCR5 antagonist for MIP-1α, MIP-1β and RANTES with IC50 of 3.3 nM, 7.2 nM and 5.2 nM in cell-free assays, respectively. Maraviroc is used in the treatment of HIV infection.",513.67,"376348-65-1",{"v":100,"d":"100.00"},194.68,"<1","N/A","http://selleckchem.com/products/Maraviroc.html","C29H41F2N5O","free base","Celsentri,UK-427857","CC(C)C1=NN=C(C)[N]1C2CC3CCC(C2)N3CCC(NC(=O)C4CCC(F)(F)CC4)C5=CC=CC=C5",3.921,3,1,8]
["S2005","Raltegravir (MK-0518)","h9","L8100-01","in 10mM DMSO","Integrase","Microbiology","Raltegravir (MK-0518) is a potent integrase (IN) inhibitor for WT and S217Q PFV IN with IC50 of 90 nM and 40 nM in cell-free assays, respectively. It shows greater than 1000-fold selectivity for HIV-1 IN over several related Mg2+-dependent enzyme such as HCV polymerase, HIV reverse transcriptase, HIV RNaseH and human α-, β-, γ-polymerases.",444.42,"518048-05-0",{"v":88,"d":"88.00"},198.01,"<1","N/A","http://selleckchem.com/products/Raltegravir-(MK-0518).html","C20H21FN6O5","free base","MK-0518","CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)C2=NN=C(C)O2)C(=O)NCC3=CC=C(F)C=C3)O",-0.291,7,3,6]
["S2037","Candesartan Cilexetil","a10","L8100-01","in 10mM DMSO","Angiotensin Receptor","GPCR & G Protein","Candesartan Cilexetil (TCV-116) is an angiotensin II receptor antagonist with IC50 of 0.26 nM, used in the treatment of hypertension.",610.66,"145040-37-5",{"v":122,"d":"122.00"},199.78,"<1","N/A","http://selleckchem.com/products/Candesartan-cilexetil-Atacand.html","C33H34N6O6","free base","TCV-116","CCOC1=NC2=C([N]1CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN=N[NH]5)C(=CC=C2)C(=O)OC(C)OC(=O)OC6CCCCC6",6.913,10,1,13]
["S2051","Captopril","b10","L8100-01","in 10mM DMSO","ACE,RAAS","Endocrinology & Hormones","Captopril (SQ 14225,Capoten) is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 6 nM.",217.29,"62571-86-2",{"v":43,"d":"43.00"},197.89,{"v":2,"d":"2.00"},{"v":9.2,"d":"9.20"},"http://selleckchem.com/products/captopril-capoten.html","C9H15NO3S","free base","SQ 14225,Capoten","CC(CS)C(=O)N1CCCC1C(O)=O",0.667,2,0,3]
["S2061","Lovastatin (MK-803)","c10","L8100-01","in 10mM DMSO","Autophagy,HMG-CoA Reductase","Metabolism","Lovastatin (MK-803, Mevinolin,Mevacor) is an inhibitor of HMG-CoA reductase with IC50 of 3.4 nM in a cell-free assay, used for lowering cholesterol (hypolipidemic agent). Lovastatin triggers autophagy.",404.54,"75330-75-5",{"v":8,"d":"8.00"},19.78,"<1","N/A","http://selleckchem.com/products/lovastatin-mevacor.html","C24H36O5","free base","Mevinolin,Mevacor","CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12",4.218,4,1,7]
["S2069","Argatroban (MCI-9038)","d10","L8100-01","in 10mM DMSO","Thrombin","Proteases","Argatroban (MCI-9038) is a potent and selective synthetic thrombin inhibitor with Ki ranging from 5 nM to 39 nM, used as an anticoagulant.",508.63,"74863-84-6",{"v":9,"d":"9.00"},17.69,"<1","N/A","http://selleckchem.com/products/argatroban.html","C23H36N6O5S","free base","MCI-9038","CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)N[S](=O)(=O)C2=CC=CC3=C2NCC(C)C3",1.266,4,4,10]
["S2128","Bazedoxifene (WAY-140424) HCl","e10","L8100-01","in 10mM DMSO","Estrogen/progestogen Receptor","Endocrinology & Hormones","Bazedoxifene HCl (WAY-140424, TSE-424) is a novel, non-steroidal, indole-based estrogen receptor modulator (SERM) binding to both ERα and ERβ with IC50 of  23 nM and 89 nM, respectively.",507.06,"198480-56-7",{"v":101,"d":"101.00"},199.19,"<1","N/A","http://selleckchem.com/products/bazedoxifene-hcl.html","C30H34N2O3.HCl","Hydrochloride","TSE-424","Cl.CC1=C([N](CC2=CC=C(OCCN3CCCCCC3)C=C2)C4=CC=C(O)C=C14)C5=CC=C(O)C=C5",7.602,1,2,7]
["S2151","Sonidegib (NVP-LDE225)","f10","L8100-01","in 10mM DMSO","Hedgehog/Smoothened","Stem Cells & Wnt","Sonidegib (Erismodegib, NVP-LDE225) is a Smoothened (Smo) antagonist, inhibiting Hedgehog (Hh) signaling with IC50 of 1.3 nM (mouse) and 2.5 nM (human) in cell-free assays, respectively. Phase 3.",{"v":485.5,"d":"485.50"},"956697-53-3",{"v":97,"d":"97.00"},199.79,"<1","N/A","http://selleckchem.com/products/LDE225(NVP-LDE225).html","C26H26F3N3O3","free base","Erismodegib","CC1CN(CC(C)O1)C2=CC=C(NC(=O)C3=C(C)C(=CC=C3)C4=CC=C(OC(F)(F)F)C=C4)C=N2",6.732,4,1,6]
["S2167","Bazedoxifene (TSE-424) acetate","g10","L8100-01","in 10mM DMSO","Estrogen/progestogen Receptor","Endocrinology & Hormones","Bazedoxifene Acetate (WAY-140424,TSE-424 acetate) is a third generation selective estrogen receptor modulator (SERM).",530.65,"198481-33-3",{"v":100,"d":"100.00"},188.45,"<1","N/A","http://selleckchem.com/products/Bazedoxifene-acetate.html","C30H34N2O3.C2H4O2","Acetate","WAY-140424,TSE-424 acetate","CC(O)=O.CC1=C([N](CC2=CC=C(OCCN3CCCCCC3)C=C2)C4=CC=C(O)C=C14)C5=CC=C(O)C=C5",3.981,2,2,7]
["S2180","Ixazomib (MLN2238)","h10","L8100-01","in 10mM DMSO","Autophagy,Proteasome","Proteases","Ixazomib (MLN2238) inhibits the chymotrypsin-like proteolytic (β5) site of the 20S proteasome with IC50 and Ki of 3.4 nM and 0.93 nM in cell-free assays, respectively, also inhibits the caspase-like (β1) and trypsin-like (β2) proteolytic sites, with IC50 of 31 and 3500 nM. Ixazomib (MLN2238) induces autophagy. Phase 3.",361.03,"1072833-77-2",{"v":72,"d":"72.00"},199.43,"<1","N/A","http://selleckchem.com/products/MLN-2238.html","C14H19BCl2N2O4","Free Base","N/A","CC(C)CC(NC(=O)CNC(=O)C1=C(Cl)C=CC(=C1)Cl)B(O)O",3.344,2,2,7]
["S2188","Phenprocoumon","a11","L8100-01","in 10mM DMSO","5-alpha Reductase","Angiogenesis","Phenprocoumon (Marcoumar, Marcumar and Falithrom,Ro 1-4849) is a vitamin K reductase with an IC50 of 1 μM",280.32,"435-97-2,53621-47-9 (sodium salt)",{"v":56,"d":"56.00"},199.77,"<1","N/A","http://www.selleck.cn/products/Phenprocoumon(Marcumar).html","C18H16O3","free base","Marcoumar, Marcumar and Falithrom,Ro 1-4849","CCC(C1=CC=CC=C1)C2=C(O)C3=CC=CC=C3OC2=O",4.004,2,1,3]
["S2195","Lexibulin (CYT997)","b11","L8100-01","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Lexibulin (CYT997, SRI-32007) is a potent microtubule polymerization inhibitor with IC50 of 10-100 nM in cancer cell lines. Phase 2.",434.53,"917111-44-5",{"v":86,"d":"86.00"},197.91,"<1","N/A","http://selleckchem.com/products/CYT997.html","C24H30N6O2","free base","SRI-32007","CCCC(NC1=C(C)C=NC(=N1)C2=CC(=C(NC(=O)NCC)C=C2)OC)C3=CC=CN=C3",3.744,5,3,9]
["S2226","Idelalisib","c11","L8100-01","in 10mM DMSO","Autophagy,PI3K","PI3K/Akt/mTOR","Idelalisib (CAL-101, GS-1101) is a selective p110δ inhibitor with IC50 of 2.5 nM in cell-free assays; shown to have 40- to 300-fold greater selectivity for p110δ than p110α/β/γ, and 400- to 4000-fold more selectivity to p110δ than C2β, hVPS34, DNA-PK and mTOR. Idelalisib also stimulates autophagy.",415.42,"870281-82-6",{"v":83,"d":"83.00"},{"v":199.8,"d":"199.80"},"<1","N/A","http://selleckchem.com/products/CAL-101.html","C22H18FN7O","free base","CAL-101, GS-1101","CCC(NC1=C2N=C[NH]C2=NC=N1)C3=NC4=CC=CC(=C4C(=O)N3C5=CC=CC=C5)F",3.624,5,2,5]
["S2254","4-Demethylepipodophyllotoxin(NSC-122819,VM-26)","d11","L8100-01","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","4-Demethylepipodophyllotoxin (NSC-122819, VM-26, DMEP) is an antimitotic agent which binds to monomeric tubulin, preventing micro-tubule polymerization. It is a potent inhibitor of microtubule assembly.",400.38,"6559-91-7",{"v":80,"d":"80.00"},199.81,"N/A","N/A","http://selleckchem.com/products/4-Demethylepipodophyllotoxin.html","C21H20O8","free base","DMEP","COC1=C(O)C(=CC(=C1)C2C3C(COC3=O)C(O)C4=CC5=C(OCO5)C=C24)OC",1.886,6,2,3]
["S2284","Colchicine (NSC 757)","e11","L8100-01","in 10mM DMSO","Microtubule Associated","Cell Cycle","Colchicine (NSC 757, Colchineos, Colchisol, Colcin) is a microtubule polymerization inhibitor with an IC50 of 3 nM.",399.44,"64-86-8",{"v":80,"d":"80.00"},200.28,{"v":80,"d":"80.00"},200.28,"http://selleckchem.com/products/colchicine.html","C22H25NO6","free base","Colchineos, Colchisol, Colcin,NSC 757","COC1=CC=C2C(=CC1=O)C(CCC3=C2C(=C(OC)C(=C3)OC)OC)NC(C)=O",2.044,6,1,5]
["S2286","Cyclosporin A (NSC 290193)","f11","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Complement System,Immunology & Inflammation related,phosphatase","Immunology & Inflammation","Cyclosporin A (Cyclosporine A, Cyclosporine, Ciclosporin, CsA,NSC 290193) is an immunosuppressive agent, binds to the cyclophilin and then inhibits calcineurin with IC50 of 7 nM in a cell-free assay, widely used in organ transplantation to prevent rejection.",1202.61,"59865-13-3",{"v":100,"d":"100.00"},83.15,"<1","N/A","http://selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html","C62H111N11O12","free base","Cyclosporine A, Cyclosporine, Ciclosporin, CsA,NSC 290193","CCC1NC(=O)C(C(O)C(C)C\\C=C\\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C",4.333,11,5,15]
["S2302","Glycyrrhizin (NSC 167409)","g11","L8100-01","in 10mM DMSO","Dehydrogenase,High-mobility Group,MAO","Metabolism","Glycyrrhizin (NSC 167409, Glycyrrhizic Acid) is a direct HMGB1(high mobility group box 1) inhibitor that inhibits HMGB1-dependent inflammatory molecule expression and oxidative stress; modulates P38 and P-JNK but not p-ERK signalling; Also inhibits 11 beta-hydroxysteroid dehydrogenase and monoamine oxidase (MAO).",822.93,"1405-86-3",{"v":100,"d":"100.00"},121.52,"<1","N/A","http://selleckchem.com/products/Glycyrrhizic-acid.html","C42H62O16","free base","N/A","CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(O)=O)C(O)=O",2.417,8,5,7]
["S2408","Cephalomannine","h11","L8100-01","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics","Others","Cephalomannine (Baccatin III) is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice.",{"v":831.9,"d":"831.90"},"71610-00-9",{"v":100,"d":"100.00"},120.21,"<1","N/A","http://selleckchem.com/products/cephalomannine.html","C45H53NO14","free base","Baccatin III","C/C=C(C)/C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)C3=CC=CC=C3)C4C(C)(C(O)CC5OCC45OC(C)=O)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C6=CC=CC=C6",2.937,11,3,14]
["S2457","Clindamycin HCl","a2","L8100-02","in 10mM DMSO","Bacterial","Microbiology","Clindamycin HCl inhibits protein synthesis by acting on the 50S ribosomal, used for the treatment of bacterial infections.",461.44,"21462-39-5",{"v":92,"d":"92.00"},199.38,{"v":92,"d":"92.00"},199.38,"http://selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html","C18H33ClN2O5S.HCl","Hydrochloride","N/A","Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O",1.659,2,4,7]
["S2475","Imatinib (STI571)","b2","L8100-02","in 10mM DMSO","Autophagy,Bcr-Abl,c-Kit,PDGFR","Protein Tyrosine Kinase","Imatinib (STI571,Gleevec, Glivec, CGP057148B) is a multi-target inhibitor of tyrosine kinase with inhibition for v-Abl, c-Kit and PDGFR, IC50 values are 0.6 μM, 0.1 μM and 0.1 μM in cell-free or cell-based assays, respectively. Imatinib (STI571) induces autophagy.",{"v":493.6,"d":"493.60"},"152459-95-5",{"v":33,"d":"33.00"},66.86,"<1","N/A","http://selleckchem.com/products/Imatinib(STI571).html","C29H31N7O","free base","STI571,Gleevec, Glivec, CGP057148B","CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CC=CN=C5",{"v":4.22,"d":"4.220"},4,2,7]
["S2489","Nateglinide","c2","L8100-02","in 10mM DMSO","Potassium Channel","Transmembrane Transporters","Nateglinide (Starlix,A-4166,SDZ DJN 608) is an insulin secretagog agent that lowers blood glucose levels by stimulating insulin secretion from the pancreas.",317.42,"105816-04-4",{"v":63,"d":"63.00"},198.48,"<1","N/A","http://selleckchem.com/products/Nateglinide(Starlix).html","C19H27NO3","free base","Starlix,A-4166,SDZ DJN 608","CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(O)=O",3.981,2,1,6]
["S2511","Sulfadoxine","d2","L8100-02","in 10mM DMSO","Anti-infection","Microbiology","Sulfadoxine (Sulphadoxine) is an ultra-long-lasting sulfonamide with an IC50 of 249 μg/ml for P. vivax.",310.33,"2447-57-6",{"v":62,"d":"62.00"},199.78,"<1","N/A","http://selleckchem.com/products/Sulfadoxine(Sulphadoxine).html","C12H14N4O4S","free base","Sulphadoxine","COC1=C(OC)C(=NC=N1)N[S](=O)(=O)C2=CC=C(N)C=C2",0.837,6,2,5]
["S2536","Miconazole","e2","L8100-02","in 10mM DMSO","Fungal","Microbiology","Miconazole (Monistat,R18134) is an imidazole antifungal agent.",416.13,"22916-47-8",{"v":83,"d":"83.00"},199.46,"<1","N/A","http://selleckchem.com/products/Miconazole-Monistat.html","C18H14Cl4N2O","Free Base","Monistat,R18134","ClC1=CC=C(COC(C[N]2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C(=C1)Cl",5.645,2,0,6]
["S2567","Medroxyprogesterone acetate (NSC-26386)","f2","L8100-02","in 10mM DMSO","Estrogen/progestogen Receptor","Endocrinology & Hormones","Medroxyprogesterone acetate (MPA, NSC-26386, Medroxyprogesterone 17-acetate, Farlutin) is a synthetic progestin and act as a potent progesterone receptor agonist, used to treat abnormal menstruation or irregular vaginal bleeding.",386.52,"71-58-9",{"v":12,"d":"12.00"},31.05,"<1","N/A","http://selleckchem.com/products/Medroxyprogesterone-acetate.html","C24H34O4","Free Base","MPA, NSC-26386, Medroxyprogesterone 17-acetate, Farlutin","CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C4(C)CCC(=O)C=C14",3.755,4,0,3]
["S2606","Mifepristone (RU486)","g2","L8100-02","in 10mM DMSO","Apoptosis related,Autophagy,Bcl-2,Estrogen/progestogen Receptor,Glucocorticoid Receptor","Endocrinology & Hormones","Mifepristone (RU486, C-1073, RU 38486, Mifegyne) is a remarkably active antagonist of progesterone receptor and glucocorticoid receptor with IC50 of 0.2 nM and 2.6 nM, respectively. Mifepristone promotes cell autophagy and apoptosis, decreases Bcl-2 level and increases Beclin1 level, accompanied by weakened interaction between Bcl-2 and Beclin1.",429.59,"84371-65-3",{"v":85,"d":"85.00"},197.86,"<1","N/A","http://selleckchem.com/products/Mifepristone(Mifeprex).html","C29H35NO2","free base","RU486, C-1073, RU 38486, RU-486, Mifegyne","CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)C5=CC=C(C=C5)N(C)C",5.655,1,0,3]
["S2625","Fostamatinib (R788)","h2","L8100-02","in 10mM DMSO","Syk","Angiogenesis","Fostamatinib (R788), a prodrug of the active metabolite R406, is a Syk inhibitor with IC50 of 41 nM, strongly inhibits Syk but not Lyn, 5-fold less potent to Flt3. Phase 3.",580.46,"901119-35-5",{"v":116,"d":"116.00"},199.84,"<1","N/A","http://selleckchem.com/products/R7935788-Fostamatinib.html","C23H26FN6O9P","free base","N/A","COC1=C(OC)C(=CC(=C1)NC2=NC=C(F)C(=N2)NC3=CC=C4OC(C)(C)C(=O)N(CO[P](O)(O)=O)C4=N3)OC",3.458,9,2,10]
["S2662","Foscenvivint (ICG-001)","a3","L8100-02","in 10mM DMSO","Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin","Stem Cells & Wnt","Foscenvivint (ICG-001) antagonizes Wnt/β-catenin/TCF-mediated transcription and specifically binds to CREB-binding protein (CBP) with IC50 of 3 μM, but is not the related transcriptional coactivator p300. ICG-001 induces apoptosis.",548.63,"780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)",{"v":100,"d":"100.00"},182.27,"<1","N/A","http://selleckchem.com/products/icg-001.html","C33H32N4O4","free base","N/A","OC1=CC=C(CC2N3C(CN(CC4=CC=CC5=C4C=CC=C5)C2=O)N(CCC3=O)C(=O)NCC6=CC=CC=C6)C=C1",4.065,3,2,6]
["S2673","Trametinib (GSK1120212)","b3","L8100-02","in 10mM DMSO","Apoptosis related,Autophagy,MEK","MAPK","Trametinib (GSK1120212, JTP-74057, Mekinist) is a highly specific and potent MEK1/2 inhibitor with IC50 of 0.92 nM/1.8 nM in cell-free assays, no inhibition of the kinase activities of c-Raf, B-Raf, ERK1/2. Trametinib activates autophagy and induces apoptosis.",615.39,"871700-17-3",{"v":22,"d":"22.00"},35.75,"<1","N/A","http://selleckchem.com/products/gsk1120212-jtp-74057.html","C26H23FIN5O4","free base","JTP-74057, Mekinist","CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC4=CC=C(I)C=C4F)C5=CC(=CC=C5)NC(C)=O)C",3.176,4,2,5]
["S2680","Ibrutinib (PCI-32765)","c3","L8100-02","in 10mM DMSO","BTK,Target Protein Ligand","Angiogenesis","Ibrutinib (PCI-32765,Imbruvica) is a potent and highly selective Brutons tyrosine kinase (Btk) inhibitor with IC50 of 0.5 nM in cell-free assays, modestly potent to Bmx, CSK, FGR, BRK, HCK, less potent to EGFR, Yes, ErbB2, JAK3, etc. Ibrutinib is applicable as a Btk ligand in the synthesis of a series of PROTACs including P13I.",{"v":440.5,"d":"440.50"},"936563-96-1",{"v":88,"d":"88.00"},199.77,"<1","N/A","http://selleckchem.com/products/pci-32765.html","C25H24N6O2","free base","PCI-32765,Imbruvica","NC1=C2C(=NC=N1)[N](N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)C5CCCN(C5)C(=O)C=C",3.985,5,1,5]
["S2700","Tirbanibulin","d3","L8100-02","in 10mM DMSO","Src","Angiogenesis","Tirbanibulin(KX2-391,KX 01), the first clinical Src inhibitor (peptidomimetic class) that targets the peptide substrate site of Src, with GI50 of 9-60 nM in cancer cell lines. Phase 2.",431.53,"897016-82-9",{"v":86,"d":"86.00"},199.29,"<1","N/A","http://selleckchem.com/products/kx2-391.html","C26H29N3O3","free base","KX2-391,KX 01","O=C(CC1=CC=C(C=N1)C2=CC=C(OCCN3CCOCC3)C=C2)NCC4=CC=CC=C4",3.262,4,1,9]
["S2727","Dacomitinib (PF-00299804)","e3","L8100-02","in 10mM DMSO","Apoptosis related,EGFR,HER2","Protein Tyrosine Kinase","Dacomitinib (PF299804, PF299) is a potent, irreversible pan-ErbB inhibitor, mostly to EGFR with IC50 of 6 nM in a cell-free assay. Dacomitinib inhibits ERBB2 and ERBB4 with IC50 of 45.7 nM and 73.7 nM, respectively. Dacomitinib is effective against NSCLCs with EGFR or ERBB2 mutations (resistant to gefitinib) as well as those harboring the EGFR T790M mutation. Dacomitinib inhibits cell growth and induces apoptosis. Phase 2.",469.94,"1110813-31-4",{"v":19,"d":"19.00"},40.43,"<1","N/A","http://selleckchem.com/products/pf299804.html","C24H25ClFN5O2","free base","PF299804,PF299","COC1=C(NC(=O)/C=C/CN2CCCCC2)C=C3C(=NC=NC3=C1)NC4=CC(=C(F)C=C4)Cl",5.055,4,2,7]
["S2741","Niraparib (MK-4827)","f3","L8100-02","in 10mM DMSO","Apoptosis related,PARP","DNA Damage/DNA Repair","Niraparib (MK-4827) is a selective inhibitor of PARP1/2 with IC50 of 3.8 nM/2.1 nM, with great activity in cancer cells with mutant BRCA-1 and BRCA-2. It is >330-fold selective against PARP3, V-PARP and Tank1. Niraparib can form PARP–DNA complexes resulting in DNA damage, apoptosis, and cell death. Phase 3.",320.39,"1038915-60-4",{"v":64,"d":"64.00"},199.76,"<1","N/A","http://selleckchem.com/products/mk-4827.html","C19H20N4O","Free Base","N/A","NC(=O)C1=CC=CC2=C[N](N=C12)C3=CC=C(C=C3)C4CCCNC4",2.618,2,2,3]
["S2754","Xevinapant (AT406)","g3","L8100-02","in 10mM DMSO","E3 Ligase ,IAP","Apoptosis","Xevinapant (AT406, ARRY-334543, Debio1143, SM-406) is a potent Smac mimetic and an antagonist of IAP (inhibitor of apoptosis protein via E3 ubiquitin ligase), binding to XIAP-BIR3, cIAP1-BIR3 and cIAP2-BIR3 with Ki of 66.4 nM, 1.9 nM, and 5.1 nM, 50- to 100-fold higher affinities than the Smac AVPI peptide. Phase 1.",561.71,"1071992-99-8",{"v":100,"d":"100.00"},178.03,"<1","N/A","http://selleckchem.com/products/at-406.html","C32H43N5O4","free base","ARRY-334543, Debio1143, SM-406","CNC(C)C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C)C",2.264,4,3,9]
["S2762","Alectinib (CH5424802)","h3","L8100-02","in 10mM DMSO","ALK","Protein Tyrosine Kinase","Alectinib (CH5424802, AF-802, RG-7853) is a potent ALK inhibitor with IC50 of 1.9 nM in cell-free assays, sensitive to L1196M mutation and higher selectivity for ALK than PF-02341066, NVP-TAE684 and PHA-E429.",482.62,"1256580-46-7",{"v":6,"d":"6.00"},12.43,{"v":1,"d":"1.00"},2.07,"http://www.selleckchem.com/products/ch5424802.html","C30H34N4O2","Free Base","AF-802, RG-7853,CH5424802","CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C)(C)C5=C(C2=O)C6=CC=C(C=C6[NH]5)C#N",5.203,2,1,3]
["S2775","Nocodazole (R17934)","a4","L8100-02","in 10mM DMSO","Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated","Cytoskeletal Signaling","Nocodazole (R17934, Oncodazole, NSC238159) is a rapidly-reversible inhibitor of microtubule polymerization, also inhibits Abl, Abl(E255K) and Abl(T315I) with IC50 of 0.21 μM, 0.53 μM and 0.64 μM in cell-free assays, respectively. Nocodazole induces apoptosis.",301.32,"31430-18-9",{"v":7,"d":"7.00"},23.23,"<1","N/A","http://selleckchem.com/products/nocodazole.html","C14H11N3O3S","free base","Oncodazole, NSC238159","COC(=O)NC1=NC2=CC=C(C=C2[NH]1)C(=O)C3=CC=CS3",3.008,4,2,4]
["S2780","I-BET151 (GSK1210151A)","b4","L8100-02","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","I-BET151 (GSK1210151A) is a novel selective BET inhibitor for BRD2, BRD3 and BRD4 with IC50 of 0.5 μM, 0.25 μM, and 0.79 μM in cell-free assays, respectively.",415.44,"1300031-49-5",{"v":83,"d":"83.00"},199.79,"<1","N/A","http://www.selleck.cn/products/i-bet151-gsk1210151a.html","C23H21N5O3","Free Base","N/A","COC1=C(C=C2N=CC3=C(N(C(C)C4=CC=CC=N4)C(=O)N3)C2=C1)C5=C(C)ON=C5C",2.601,6,1,4]
["S2781","RITA (NSC 652287)","c4","L8100-02","in 10mM DMSO","E3 Ligase ,p53","Apoptosis","RITA (NSC 652287) induces both DNA-protein and DNA-DNA cross-links with no detectable DNA single-strand breaks, and also inhibits MDM2-p53 interaction by targeting p53.",292.37,"213261-59-7",{"v":58,"d":"58.00"},198.38,"<1","N/A","http://selleckchem.com/products/rita-nsc-652287.html","C14H12O3S2","free base","N/A","OCC1=CC=C(S1)C2=CC=C(O2)C3=CC=C(CO)S3",3.407,1,2,4]
["S2789","Tofacitinib (CP-690550)","d4","L8100-02","in 10mM DMSO","Apoptosis related,JAK","JAK/STAT","Tofacitinib (CP-690550,Tasocitinib) is a novel inhibitor of JAK3 with IC50 of 1 nM in cell-free assays, 20- to 100-fold less potent against JAK2 and JAK1. Tofacitinib inhibits the expression of antiapoptotic BCL-A1 and BCL-XL in human plasmacytoid dendritic cells (PDC) and induced PDC apoptosis.",312.37,"477600-75-2",{"v":62,"d":"62.00"},198.48,"<1","N/A","http://selleckchem.com/products/tofacitinib-cp-690550.html","C16H20N6O","free base","Tasocitinib","CC1CCN(CC1N(C)C2=C3C=C[NH]C3=NC=N2)C(=O)CC#N",1.512,3,1,3]
["S2794","Sofosbuvir (GS-7977)","e4","L8100-02","in 10mM DMSO","DNA/RNA Synthesis,HCV Protease","DNA Damage/DNA Repair","Sofosbuvir (PSI-7977, GS-7977) is a HCV NS5B polymerase inhibitor for the treatment of chronic hepatitis C virus (HCV) infection.",529.45,"1190307-88-0",{"v":100,"d":"100.00"},188.88,{"v":11,"d":"11.00"},20.78,"http://selleckchem.com/products/psi-7977-gs-7977.html","C22H29FN3O9P","free base","PSI-7977","CC(C)OC(=O)C(C)N[P](=O)(OCC1OC(N2C=CC(=O)NC2=O)C(C)(F)C1O)OC3=CC=CC=C3",0.921,7,3,11]
["S2851","Baricitinib (INCB028050)","f4","L8100-02","in 10mM DMSO","COVID-19,JAK","JAK/STAT","Baricitinib (LY3009104, INCB028050) is a selective JAK1 and JAK2 inhibitor with IC50 of 5.9 nM and 5.7 nM in cell-free assays, ~70 and ~10-fold selective versus JAK3 and Tyk2, no inhibition to c-Met and Chk2. Baricitinib is found to reduce or interrupt the passage of the virus into target cells and is used in the treatment research for COVID-19. Phase 3.",371.42,"1187594-09-7",{"v":74,"d":"74.00"},199.24,"<1","N/A","http://selleckchem.com/products/baricitinib-ly3009104.html","C16H17N7O2S","free base","LY3009104","CC[S](=O)(=O)N1CC(CC#N)(C1)[N]2C=C(C=N2)C3=NC=NC4=C3C=C[NH]4",{"v":0.36,"d":"0.360"},5,1,5]
["S2853","Carfilzomib (PR-171)","g4","L8100-02","in 10mM DMSO","Apoptosis related,Autophagy,COVID-19,Proteasome","Proteases","Carfilzomib (PR-171) is an irreversible proteasome inhibitor with IC50 of <5 nM in ANBL-6 cells, displayed preferential in vitro inhibitory potency against the ChT-L activity in the β5 subunit, but little or no effect on the PGPH and T-L activities. Carfilzomib activates prosurvival autophagy and induces cell apoptosis.",719.91,"868540-17-4",{"v":50,"d":"50.00"},69.45,"<1","N/A","http://selleckchem.com/products/carfilzomib-pr-171.html","C40H57N5O7","free base","N/A","CC(C)CC(NC(=O)C(CCC1=CC=CC=C1)NC(=O)CN2CCOCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)C4(C)CO4",3.799,7,4,20]
["S2861","CTEP (RO4956371)","h4","L8100-02","in 10mM DMSO","GluR","Neuronal Signaling","CTEP (RO4956371) is a novel, long-acting, orally bioavailable allosteric antagonist of mGlu5 receptor with IC50 of 2.2 nM, shows >1000-fold selectivity over other mGlu receptors.",391.77,"871362-31-1",{"v":78,"d":"78.00"},{"v":199.1,"d":"199.10"},"<1","N/A","http://selleckchem.com/products/ctep.html","C19H13ClF3N3O","free base","N/A","CC1=NC(=C(C)[N]1C2=CC=C(OC(F)(F)F)C=C2)C#CC3=CC=NC(=C3)Cl",6.286,3,0,5]
["S2907","Pirfenidone (S-7701)","a5","L8100-02","in 10mM DMSO","CCR,TGF-beta/Smad","TGF-beta/Smad","Pirfenidone (S-7701, AMR-69) is an inhibitor for TGF-β production and TGF-β stimulated collagen production, reduces production of TNF-α and IL-1β, and also has anti-fibrotic and anti-inflammatory properties. Pirfenidone attenuates chemokine (CC motif) ligand-2 (CCL2) and CCL12 production with anti-fibrotic activity. Phase 3.",185.22,"53179-13-8",{"v":37,"d":"37.00"},199.76,"<1","N/A","http://selleckchem.com/products/pirfenidone.html","C12H11NO","free base","AMR-69","CC1=CN(C(=O)C=C1)C2=CC=CC=C2",1.905,1,0,1]
["S3002","Rivaroxaban (BAY 59-7939)","b5","L8100-02","in 10mM DMSO","Factor Xa","Metabolism","Rivaroxaban (BAY 59-7939) is a direct inhibitor of Factor Xa with Ki and IC50 of 0.4 nM and 0.7 nM in cell-free assays, respectively. It is selective for human factor Xa, for which it has >10 000-fold greater selectivity than for other biologically relevant serine proteases (IC50 >20 μM).",435.88,"366789-02-8",{"v":87,"d":"87.00"},{"v":199.6,"d":"199.60"},"<1","N/A","http://selleckchem.com/products/Rivaroxaban.html","C19H18ClN3O5S","free base","BAY 59-7939","ClC1=CC=C(S1)C(=O)NCC2CN(C(=O)O2)C3=CC=C(C=C3)N4CCOCC4=O",1.797,5,1,5]
["S3012","Pazopanib","c5","L8100-02","in 10mM DMSO","Autophagy,Cathepsin B,c-Kit,CSF-1R,Cysteine Protease,FGFR,PDGFR,VEGFR","Protein Tyrosine Kinase","Pazopanib (GW786034) is a novel multi-target inhibitor of VEGFR1, VEGFR2, VEGFR3, PDGFR, FGFR, c-Kit and c-Fms/CSF1R with IC50 of 10 nM, 30 nM, 47 nM, 84 nM, 74 nM, 140 nM and 146 nM in cell-free assays, respectively. Pazopanib induces cathepsin B activation and autophagy.",437.52,"444731-52-6",{"v":87,"d":"87.00"},198.85,"<1","N/A","http://selleckchem.com/products/pazopanib.html","C21H23N7O2S","Free Base","GW786034","C[N]1N=C2C=C(C=CC2=C1C)N(C)C3=NC(=NC=C3)NC4=CC=C(C)C(=C4)[S](N)(=O)=O",3.741,5,2,5]
["S3022","Cabazitaxel (XRP6258)","d5","L8100-02","in 10mM DMSO","Autophagy,Microtubule Associated","Cytoskeletal Signaling","Cabazitaxel (RPR-116258A, XRP6258, TXD 258, Taxoid XRP6258) is a semi-synthetic derivative of a natural taxoid that kills cancer cells by inhibiting cell division and growth. Cabazitaxel exerts its effects by inhibiting microtubule growth and assembly, processes that are essential for cells to divide. Cabazitaxel induces autophagy via the PI3K/Akt/mTOR pathway.",835.93,"183133-96-2",{"v":100,"d":"100.00"},119.63,"<1","N/A","http://selleckchem.com/products/cabazitaxel-jevtana.html","C45H57NO14","free base","RPR-116258A, TXD 258, Taxoid XRP6258","COC1CC2OCC2(OC(C)=O)C3C(OC(=O)C4=CC=CC=C4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C6=CC=CC=C6)C(=C(C(OC)C(=O)C13C)C5(C)C)C",3.403,12,2,15]
["S3031","Linagliptin (BI-1356)","e5","L8100-02","in 10mM DMSO","Autophagy,Ferroptosis","Proteases","Linagliptin (BI-1356,GSK2118436) is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM and exhibits a 10,000-fold higher selectivity for DPP-4 than for other dipeptidyl peptidases such as DPP-2, DPP-8, and DPP-9. Linagliptin activates glomerular autophagy in a model of type 2 diabetes. DPP4 mediates ferroptosis in TP53-deficient CRC cells.",472.54,"668270-12-0",{"v":17,"d":"17.00"},35.98,"<1","N/A","http://selleckchem.com/products/linagliptin-bi-1356.html","C25H28N8O2","free base","GSK2118436","CC#CC[N]1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(=N3)C)C(=O)N2C)N5CCCC(N)C5",2.718,5,1,5]
["S3079","Atovaquone","f5","L8100-02","in 10mM DMSO","COVID-19,Fungal,Parasite","Microbiology","Atovaquone (Atavaquone) is a medication used to treat or prevent for pneumocystis pneumonia, toxoplasmosis, malaria, and babesia.",366.84,"95233-18-4",{"v":5,"d":"5.00"},13.63,"<1","N/A","http://selleckchem.com/products/atovaquone-atavaquone.html","C22H19ClO3","free base","Atavaquone","OC1=C(C2CCC(CC2)C3=CC=C(Cl)C=C3)C(=O)C4=C(C=CC=C4)C1=O",5.319,2,1,2]
["S3083","Indacaterol Maleate","g5","L8100-02","in 10mM DMSO","Adrenergic Receptor","Neuronal Signaling","Indacaterol (QAB149) is an ultra-long-acting β-adrenoceptor agonist with pKi of 7.36 for β1-adrenoceptor and pKi of 5.48 for β2-adrenoceptor.",508.56,"753498-25-8",{"v":102,"d":"102.00"},200.57,"<1","N/A","http://selleckchem.com/products/indacaterol-maleate.html","C24H28N2O3.C4H4O4","Maleate","QAB149","CCC1=CC2=C(CC(C2)NCC(O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1CC.OC(=O)\\C=C/C(O)=O",1.264,3,4,8]
["S3104","Moguisteine","h5","L8100-02","in 10mM DMSO","Others","Others","Moguisteine(BBR-2173) is a novel peripheral non-narcotic antitussive drug.",339.41,"119637-67-1",{"v":68,"d":"68.00"},200.35,"<1","N/A","http://selleckchem.com/products/moguisteine.html","C16H21NO5S","free base","BBR-2173","CCOC(=O)CC(=O)N1CCSC1COC2=CC=CC=C2OC",2.212,5,0,8]
["S3116","Sulfathiazole","a6","L8100-02","in 10mM DMSO","Anti-infection","Microbiology","Sulfathiazole is an organosulfur compound that has been used as a short-acting sulfa drug.",255.32,"72-14-0",{"v":51,"d":"51.00"},199.75,"<1","N/A","http://selleckchem.com/products/sulfathiazole.html","C9H9N3O2S2","free base","N/A","NC1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CS2",0.568,3,2,3]
["S3147","Entacapone","b6","L8100-02","in 10mM DMSO","COMT,Histone Methyltransferase","Epigenetics","Entacapone (OR-611) inhibits catechol-O-methyltransferase(COMT) with IC50 of 151 nM. Entacapone can be used for the research of Parkinson's disease. Entacapone serves as a inhibitor of FTO demethylation with an IC50 of 3.5 μM, can be used for the research of metabolic disorders.",305.29,"130929-57-6",{"v":61,"d":"61.00"},199.81,"<1","N/A","http://selleckchem.com/products/entacapone.html","C14H15N3O5","free base","OR-611","CCN(CC)C(=O)\\C(=C\\C1=CC(=C(O)C(=C1)O)[N+]([O-])=O)C#N",1.658,1,2,5]
["S3161","Sertaconazole nitrate","c6","L8100-02","in 10mM DMSO","Fungal","Microbiology","Sertaconazole nitrate (FI-7045,FI7056) is a topical broad-spectrum antifungal that is developed to provide an additional agent for the treatment of superficial cutaneous and mucosal infections.",500.78,"99592-39-9",{"v":100,"d":"100.00"},199.69,"<1","N/A","http://selleckchem.com/products/sertaconazole-nitrate.html","C20H15Cl3N2OS.HNO3","Nitrate","FI-7045,FI7056","O[N+]([O-])=O.ClC1=CC=C(C(C[N]2C=CN=C2)OCC3=CSC4=C(Cl)C=CC=C34)C(=C1)Cl",4.584,2,0,6]
["S3163","Benztropine mesylate","d6","L8100-02","in 10mM DMSO","Dopamine Receptor","Neuronal Signaling","Benztropine(Cogentin mesylate, Benztropine methanesulfonate) is a dopamine transporter (DAT) inhibitor with IC50 of 118 nM.",403.53,"132-17-2",{"v":50,"d":"50.00"},123.91,{"v":81,"d":"81.00"},200.73,"http://selleckchem.com/products/benztropine-mesylate.html","C21H25NO.CH4SO3","Mesylate","Cogentin mesylate, Benztropine methanesulfonate","CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.C[S](O)(=O)=O",3.461,1,0,4]
["S3604","Triptolide (PG490)","e6","L8100-02","in 10mM DMSO","ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-κB","NF-κB","Triptolide (PG490, NSC 163062) is a diterpene triepoxide, immunosuppresive agent extracted from the Chinese herb Tripterygium wilfordii. It functions as a NF-κB inhibitor with dual actions by disruption of p65/CBP interaction and by reduction of p65 protein. Triptolide (PG490) abrogates the transactivation function of heat shock transcription factor 1 (HSF1). Triptolide inhibits MDM2 and induces apoptosis through a p53-independent pathway.",{"v":360.4,"d":"360.40"},"38748-32-2",{"v":72,"d":"72.00"},199.78,"<1","N/A","http://selleckchem.com/products/triptolide.html","C20H24O6","free base","NSC 163062","CC(C)C12OC1C3OC34C5(C)CCC6=C(COC6=O)C5CC7OC47C2O",0.872,5,1,1]
["S3644","Sulfamonomethoxine","f6","L8100-02","in 10mM DMSO","Bacterial","Microbiology","Sulfamonomethoxine is a long-acting sulfonamide antibacterial agent and blocks the synthesis of folic acid by inhibiting synthetase of dihydropteroate.",{"v":280.3,"d":"280.30"},"1220-83-3",{"v":56,"d":"56.00"},199.79,"<1","N/A","http://selleckchem.com/products/sulfamonomethoxine.html","C11H12N4O3S","free base","N/A","COC1=NC=NC(=C1)N[S](=O)(=O)C2=CC=C(N)C=C2",0.854,5,2,4]
["S3714","Lifitegrast","g6","L8100-02","in 10mM DMSO","Integrin","Cytoskeletal Signaling","Lifitegrast (SAR1118,SHP-606) is a novel small molecule integrin antagonist that inhibits a specific T cell-mediated inflammatory pathway involved in the pathogenesis of DED.",615.48,"1025967-78-5",{"v":100,"d":"100.00"},162.47,"<1","N/A","http://selleckchem.com/products/lifitegrast.html","C29H24Cl2N2O7S","free base","SAR1118,SHP-606","C[S](=O)(=O)C1=CC=CC(=C1)CC(NC(=O)C2=C(Cl)C=C3CN(CCC3=C2Cl)C(=O)C4=CC=C5C=COC5=C4)C(O)=O",{"v":4.79,"d":"4.790"},6,1,7]
["S3725","ELR-510444","h6","L8100-02","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","ELR-510444 is a novel microtubule disruptor with potential antivascular effects and in vivo antitumor efficacy, causing a loss of cellular microtubules and the formation of aberrant mitotic spindles and leading to mitotic arrest and apoptosis of cancer cells.",368.47,"1233948-35-0",{"v":73,"d":"73.00"},198.12,"<1","N/A","http://selleckchem.com/products/elr-510444.html","C19H16N2O2S2","free base","N/A","CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC(=CC=C2C)C3=CC=C(S3)C#N",4.932,2,1,4]
["S3727","Vilanterol Trifenate","a7","L8100-02","in 10mM DMSO","Adrenergic Receptor","Neuronal Signaling","Vilanterol trifenatate (GW642444M) is a novel inhaled long-acting beta2 adrenoceptor agonist with inherent 24-hour activity for once daily treatment of COPD and asthma.",774.77,"503070-58-4",{"v":100,"d":"100.00"},129.07,"<1","N/A","http://selleckchem.com/products/vilanterol-trifenate.html","C24H33Cl2NO5.C20H16O2","trifenatate","GW642444M Trifenate","OCC1=CC(=CC=C1O)C(O)CNCCCCCCOCCOCC2=C(Cl)C=CC=C2Cl.OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5",5.949,3,4,20]
["S3728","Grazoprevir","b7","L8100-02","in 10mM DMSO","HCV Protease","Proteases","Grazoprevir anhydrous (MK5172) is a Hepatitis C Virus NS3/4A Protease inhibitor with IC50 values of 7pM, 4pM, and 62pM for HCV genotype 1a, 1B, and 4 respectively.",{"v":766.9,"d":"766.90"},"1350514-68-9",{"v":100,"d":"100.00"},{"v":130.4,"d":"130.40"},"<1","N/A","http://selleckchem.com/products/grazoprevir.html","C38H50N6O9S","free base","MK5172","COC1=CC2=NC3=C(CCCCCC4CC4OC(=O)NC(C(=O)N5CC(CC5C(=O)NC6(CC6C=C)C(=O)N[S](=O)(=O)C7CC7)O3)C(C)(C)C)N=C2C=C1",3.975,11,3,8]
["S3733","Boceprevir","c7","L8100-02","in 10mM DMSO","COVID-19,HCV Protease","Proteases","Boceprevir (EBP 520, SCH 503034) is an oral, direct acting hepatitis C virus (HCV) protease inhibitor with Ki value of 14 nM for NS3. It is used in combination with other antiviral agents in the treatment of chronic hepatitis C, genotype 1.",519.68,"394730-60-0",{"v":100,"d":"100.00"},192.43,"<1","N/A","http://selleckchem.com/products/boceprevir.html","C27H45N5O5","free base","EBP 520, SCH 503034","CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC3CCC3)C(=O)C(N)=O)C2(C)C)C(C)(C)C",1.623,5,4,10]
["S3970","Vindoline","d7","L8100-02","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Vindoline is a chemical precursor to vinblastine and exhibits antimitotic activity by inhibiting microtubule assembly.",456.53,"2182-14-1",{"v":91,"d":"91.00"},199.33,"N/A","N/A","http://selleckchem.com/products/vindoline.html","C25H32N2O6","free base","N/A","CCC12C=CCN3CCC4(C(N(C)C5=C4C=CC(=C5)OC)C(O)(C1OC(C)=O)C(=O)OC)C23",1.935,5,0,6]
["S4000","Pergolide Mesylate","e7","L8100-02","in 10mM DMSO","Dopamine Receptor","Neuronal Signaling","Pergolide Mesylate is an antiparkinsonian agent which functions as a dopaminergic agonist.",410.59,"66104-23-2",{"v":10,"d":"10.00"},24.36,{"v":82,"d":"82.00"},199.71,"http://selleckchem.com/products/Pergolide-mesylate.html","C20H30N2O3S2","Mesylate","LY127809","CCCN1CC(CSC)CC2C1CC3=C[NH]C4=C3C2=CC=C4.C[S](O)(=O)=O",3.696,0,1,4]
["S4012","Desloratadine","f7","L8100-02","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Desloratadine (SCH-34117, NSC 675447) is a potent antagonist for  human histamine H1 receptor with IC50 of 51 nM.",310.82,"100643-71-8",{"v":26,"d":"26.00"},83.65,"<1","N/A","http://selleckchem.com/products/desloratadine.html","C19H19ClN2","free base","SCH-34117, NSC 675447","ClC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4",4.213,1,1,0]
["S4031","Aclidinium Bromide","g7","L8100-02","in 10mM DMSO","AChR","Neuronal Signaling","Aclidinium Bromide (LAS 34273, LAS-W 330) inhibits human muscarinic AChR M1, M2, M3, M4 and M5 with Ki of 0.1 nM, 0.14 nM, 0.14 nM, 0.21 nM and 0.16 nM, respectively.",564.55,"320345-99-1",{"v":113,"d":"113.00"},200.16,"<1","N/A","http://selleckchem.com/products/aclidinium-bromide.html","C26H30NO4S2.Br","quaternary-N bromide salt","LAS 34273, LAS-W 330","[Br-].OC(C(=O)OC1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C4=CC=CS4)C5=CC=CS5",0.979,3,0,10]
["S4061","Levobupivacaine HCl","h7","L8100-02","in 10mM DMSO","Sodium Channel","Transmembrane Transporters","Levobupivacaine HCl ((S)-(-)-Bupivacaine), the pure S(-)-enantiomer of bupivacaine, is a reversible neuronal sodium channel inhibitor, used as a long-acting local anesthetic.",324.89,"27262-48-2",{"v":64,"d":"64.00"},196.99,{"v":64,"d":"64.00"},196.99,"http://selleckchem.com/products/lvobupivacaine-hcl.html","C18H28N2O.HCl","Hydrochloride","(S)-(-)-Bupivacaine HCl","Cl.CCCCN1CCCCC1C(=O)NC2=C(C)C=CC=C2C",4.692,1,1,5]
["S4078","Mefenamic Acid","a8","L8100-02","in 10mM DMSO","COX","Neuronal Signaling","Mefenamic Acid (CI 473, CN-35355) is a competitive inhibitor of COX-1 and COX-2.",241.29,"61-68-7",{"v":48,"d":"48.00"},198.93,"<1","N/A","http://selleckchem.com/products/mefenamic-acid.html","C15H15NO2","free base","CI 473, CN-35355","CC1=C(C)C(=CC=C1)NC2=CC=CC=C2C(O)=O",3.982,1,1,3]
["S4091","Ifenprodil Tartrate","b8","L8100-02","in 10mM DMSO","NMDAR","Neuronal Signaling","Ifenprodil is an atypical noncompetitive antagonist at the NMDA receptor, it interacts with high affinity at a homogeneous population of NMDA receptors in neonatal rat forebrain with IC50 of 0.3 μM.",800.98,"23210-58-4",{"v":95,"d":"95.00"},{"v":118.6,"d":"118.60"},{"v":9,"d":"9.00"},11.24,"http://selleckchem.com/products/ifenprodil-tartrate.html","2(C21H27NO2).C4H6O6","Tartrate","N/A","CC(C(O)C1=CC=C(O)C=C1)N2CCC(CC2)CC3=CC=CC=C3.CC(C(O)C4=CC=C(O)C=C4)N5CCC(CC5)CC6=CC=CC=C6.OC(C(O)C(O)=O)C(O)=O",0.638,2,6,13]
["S4104","Diminazene Aceturate","c8","L8100-02","in 10mM DMSO","ACE,Parasite","Microbiology","Diminazene(Diminazene diaceturate) is a di-amidine also known as 4,4-(1-Triazene–1,3–diyl)bis(benzenecarboximidamide), used as an effective trypanocidal agent.  The main biochemical mechanism of the trypanocidal actions of Diminazene aceturate is by binding to trypanosomal kinetoplast DNA (kDNA) in a non-intercalative manner through specific interaction with sites rich in adenine-thymine base pairs. Diminazene aceturate is also an angiotensin-converting enzyme 2 (ACE2) activator and has strong and potent anti-inflammatory properties.",515.52,"908-54-3",{"v":19,"d":"19.00"},36.86,{"v":100,"d":"100.00"},193.98,"http://selleckchem.com/products/diminazene-aceturate.html","C14H15N7.2C4H7NO3","Aceturate","Diminazene diaceturate","CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)C1=CC=C(NN=NC2=CC=C(C=C2)C(N)=N)C=C1",-0.592,6,5,9]
["S4107","Clofazimine","d8","L8100-02","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,Dyes,Phospholipase (e.g. PLA)","Metabolism","Clofazimine (NSC-141046) is a rhimophenazine dye, originally developed for the treatment of tuberculosis, it has both antimicrobial and antiinflammatory activity, postulated mechanisms of action include intercalation of clofazimine with bacterial DNA and increasing levels of cellular phospholipase A2.",{"v":473.4,"d":"473.40"},"2030-63-9",{"v":5,"d":"5.00"},10.56,"<1","N/A","http://selleckchem.com/products/clofazimine.html","C27H22Cl2N4","free base","NSC-141046","CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C4=C(C=CC=C4)N=C2C=C1NC5=CC=C(Cl)C=C5",7.137,2,1,4]
["S4114","Triclabendazole","e8","L8100-02","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Triclabendazole (CGA-89317,tcbz) is a benzimidazole, it binds to tubulin impairing intracellular transport mechanisms and interferes with protein synthesis.",359.66,"68786-66-3",{"v":72,"d":"72.00"},200.19,"<1","N/A","http://selleckchem.com/products/triclabendazole.html","C14H9Cl3N2OS","free base","CGA-89317,tcbz","CSC1=NC2=C([NH]1)C=C(Cl)C(=C2)OC3=C(Cl)C(=CC=C3)Cl",5.982,2,1,3]
["S4223","Mevastatin","f8","L8100-02","in 10mM DMSO","HMG-CoA Reductase","Metabolism","Mevastatin (ML-236B,Compactin) is a competitive inhibitor of HMG-Coenzyme A (HMG-CoA) reductase with a binding affinity 10,000 times greater than the HMG-CoA substrate itself.",390.51,"73573-88-3",{"v":78,"d":"78.00"},199.74,"<1","N/A","http://selleckchem.com/products/mevastatin.html","C23H34O5","free base","ML-236B,Compactin","CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12",3.966,4,1,7]
["S4250","Sulfamethoxypyridazine","g8","L8100-02","in 10mM DMSO","Anti-infection","Microbiology","Sulfamethoxypyridazine (CL 13494) is a long-acting sulfonamide for treatment of Dermatitis herpetiformis.",{"v":280.3,"d":"280.30"},"80-35-3",{"v":56,"d":"56.00"},199.79,"<1","N/A","http://selleckchem.com/products/sulfamethoxypyridazine.html","C11H12N4O3S","free base","CL 13494","COC1=NN=C(N[S](=O)(=O)C2=CC=C(N)C=C2)C=C1",1.014,5,2,4]
["S4257","Alizapride HCl","h8","L8100-02","in 10mM DMSO","Dopamine Receptor","Neuronal Signaling","Alizapride HCl(Alizapride hydrochloride) is a dopamine receptor antagonist used for the theropy of nausea and vomiting.",351.83,"59338-87-3",{"v":42,"d":"42.00"},119.38,{"v":70,"d":"70.00"},198.96,"http://selleckchem.com/products/alizapride-hcl.html","C16H21N5O2.HCl","hydrochloride","Alizapride hydrochloride","Cl.COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)N=N[NH]2",2.253,4,2,6]
["S4267","Diacerein","a9","L8100-02","in 10mM DMSO","Interleukins","Immunology & Inflammation","Diacerein is an inhibitor of pro-inflammatory cytokine Interleukin-1B (IL-1B) production, prescribed for osteoarthritis and chronic inflammatory arthritis.",368.29,"13739-02-1",{"v":48,"d":"48.00"},130.33,"<1","N/A","http://selleckchem.com/products/diacerein.html","C19H12O8","free base","N/A","CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3OC(C)=O)C(O)=O)C2=O",1.973,7,0,5]
["S4269","Vinorelbine ditartrate (KW-2307)","b9","L8100-02","in 10mM DMSO","Apoptosis related,Autophagy,Microtubule Associated","Cytoskeletal Signaling","Vinorelbine Tartrate (KW-2307, Nor-5'-anhydrovinblastine ditartrate) is a semi-synthetic vinca alkaloid, and inhibits mitosis through interaction with tubulin. Vinorelbine Tartrate exhibits anti-tumor activities via inducing the mitotic apoptosis, autophagy and inflammation.",1079.11,"125317-39-7",{"v":100,"d":"100.00"},92.67,{"v":100,"d":"100.00"},92.67,"http://selleckchem.com/products/vinorelbine-tartrate.html","C45H54N4O8.2C4H6O6","ditartrate","Nor-5'-anhydrovinblastine ditartrate,KW-2307","CCC1=CC2CN(C1)CC3=C([NH]C4=C3C=CC=C4)C(C2)(C(=O)OC)C5=C(OC)C=C6N(C)C7C(O)(C(OC(C)=O)C8(CC)C=CCN9CCC7(C89)C6=C5)C(=O)OC.OC(C(O)C(O)=O)C(O)=O.OC(C(O)C(O)=O)C(O)=O",{"v":-4,"d":"-4.000"},11,5,16]
["S4277","Bambuterol HCl","c9","L8100-02","in 10mM DMSO","Adrenergic Receptor","GPCR & G Protein","Bambuterol HCl(Bambuterol hydrochloride,KWD-2183 hydrochloride) is a potent β-adrenoceptor agonist, used in the treatment of asthma.",{"v":403.9,"d":"403.90"},"81732-46-9",{"v":80,"d":"80.00"},198.07,{"v":72,"d":"72.00"},178.26,"http://selleckchem.com/products/bambuterol-hci.html","C18H29N3O5.HCl","Hydrochloride","Bambuterol hydrochloride,KWD-2183 hydrochloride","Cl.CN(C)C(=O)OC1=CC(=CC(=C1)OC(=O)N(C)C)C(O)CNC(C)(C)C",2.109,4,2,8]
["S4308","Benzthiazide","d9","L8100-02","in 10mM DMSO","Others","Others","Benzthiazide is a thiazide diuretic, promoting water loss from the body.",431.94,"91-33-8",{"v":86,"d":"86.00"},{"v":199.1,"d":"199.10"},"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/benzthiazide.html","C15H14ClN3O4S3","Free Base","Benzothiazide","N[S](=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC3=CC=CC=C3)N[S]2(=O)=O",1.966,5,2,5]
["S4335","Metaproterenol Sulfate","e9","L8100-02","in 10mM DMSO","Others","Others","N/A",520.59,"5874-97-5",{"v":100,"d":"100.00"},192.09,{"v":100,"d":"100.00"},192.09,"http://www.selleckchem.com/products/metaproterenol-sulfate.html","C22H36N2O10S","sulfate","Orciprenaline Sulfate","CC(C)NCC(O)C1=CC(=CC(=C1)O)O.CC(C)NCC(O)C2=CC(=CC(=C2)O)O.O[S](O)(=O)=O",1.591,0,8,8]
["S4353","Terfenadine","f9","L8100-02","in 10mM DMSO","Calcium Channel,Caspase,Histamine Receptor,NCX,Potassium Channel","Transmembrane Transporters","Terfenadine is an antihistamine, generally completely metabolizes to the active form fexofenadine in the liver by the enzyme cytochrome P450 CYP3A4 isoform.  Terfenadine ((±)-Terfenadine) is a potent open-channel blocker of hERG with an IC50 of 204 nM. Terfenadine, an H1 histamine receptor antagonist, acts as a potent apoptosis inducer in melanoma cells through modulation of Ca2+ homeostasis. Terfenadine induces ROS-dependent apoptosis, simultaneously activates Caspase-4, -2, -9.",471.67,"50679-08-8",{"v":94,"d":"94.00"},199.29,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/terfenadine.html","C32H41NO2","Free Base","N/A","CC(C)(C)C1=CC=C(C=C1)C(O)CCCN2CCC(CC2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4",6.498,0,1,9]
["S4398","Isoxicam","g9","L8100-02","in 10mM DMSO","Others","Others","N/A",335.34,"34552-84-6",{"v":17,"d":"17.00"},50.69,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/isoxicam.html","C14H13N3O5S","Free Base","N/A","CN1C(=C(O)C2=CC=CC=C2[S]1(=O)=O)C(=O)NC3=NOC(=C3)C",0.251,5,2,2]
["S4422","Nitenpyram","h9","L8100-02","in 10mM DMSO","AChR,Parasite","Neuronal Signaling","Nitenpyram(Bestguard,Capstar) is a nicotinic acetylcholine receptor (AchR) agonist, used as veterinary medicine to treat parasites of livestock and pets.",270.72,"150824-47-8",{"v":54,"d":"54.00"},199.47,{"v":54,"d":"54.00"},199.47,"http://selleckchem.com/products/nitenpyram.html","C11H15ClN4O2","free base","Bestguard,Capstar","CCN(CC1=CC=C(Cl)N=C1)\\C(NC)=C\\[N+]([O-])=O",{"v":1.7,"d":"1.700"},1,1,6]
["S4505","Vinblastine (NSC-49842) sulfate","a10","L8100-02","in 10mM DMSO","AChR,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated","Cytoskeletal Signaling","Vinblastine sulfate (NSC49842, Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe) inhibits microtubule formation and suppresses nAChR activity with IC50 of 8.9 μM in a cell-free assay, used to treat certain kinds of cancer. Vinblastine sulfate induces autophagy and apoptosis.",909.05,"143-67-9",{"v":100,"d":"100.00"},{"v":110,"d":"110.00"},"<1","N/A","http://selleckchem.com/products/vinblastine-sulfate.html","C46H58N4O9.H2SO4","sulfate","Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe","CCC1(O)CC2CN(CCC3=C([NH]C4=CC=CC=C34)C(C2)(C(=O)OC)C5=C(OC)C=C6N(C)C7C(O)(C(OC(C)=O)C8(CC)C=CCN9CCC7(C89)C6=C5)C(=O)OC)C1.O[S](O)(=O)=O",{"v":4.28,"d":"4.280"},7,1,10]
["S4548","Aminoguanidine hydrochloride","b10","L8100-02","in 10mM DMSO","NOS","Immunology & Inflammation","Aminoguanidine (Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine) is a diamine oxidase and nitric oxide synthase inhibitor. It acts to reduce levels of advanced glycation end products (AGEs) through interacting with 3-deoxyglucosone.",110.55,"1937-19-5",{"v":22,"d":"22.00"},{"v":199,"d":"199.00"},{"v":22,"d":"22.00"},{"v":199,"d":"199.00"},"http://selleckchem.com/products/aminoguanidine-hydrochloride.html","CH6N4.HCl","hydrochloride","Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine","Cl.NNC(N)=N",-1.098,0,3,1]
["S4625","Alcaftadine","c10","L8100-02","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Alcaftadine (Lastacaft, R89674) is a high affinity ligand for the H1 receptor, with a pKi (8.5) that is comparable with that of other H1 antihistamines. Alcaftadine is also an antagonist for H2 and H4 receptors with no affinity for the H3 receptor.",307.39,"147084-10-4",{"v":28,"d":"28.00"},91.09,"<1","N/A","http://selleckchem.com/products/alcaftadine.html","C19H21N3O","free base","Lastacaft, R89674","CN1CCC(CC1)=C2C3=C(CC[N]4C(=CN=C24)C=O)C=CC=C3",2.831,2,0,1]
["S4629","Chlorotrianisene","d10","L8100-02","in 10mM DMSO","Estrogen/progestogen Receptor","Endocrinology & Hormones","Chlorotrianisene (tri-p-anisylchloroethylene, TACE, CTA) is a synthetic, non-steroidal estrogen. It is a selective estrogen receptor modulator.",380.86,"569-57-3",{"v":76,"d":"76.00"},199.55,"<1","N/A","http://selleckchem.com/products/chlorotrianisene.html","C23H21ClO3","free base","tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA","COC1=CC=C(C=C1)C(Cl)=C(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3",5.614,3,0,6]
["S4651","Etoricoxib","e10","L8100-02","in 10mM DMSO","COX","Neuronal Signaling","Etoricoxib (Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia) is a new COX-2 selective inhibitor with anti-inflammatory, antipyretic, analgesic, and potential antineoplastic properties.",358.84,"202409-33-4",{"v":71,"d":"71.00"},197.86,"<1","N/A","http://selleckchem.com/products/etoricoxib.html","C18H15ClN2O2S","free base","Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia","CC1=NC=C(C=C1)C2=NC=C(Cl)C=C2C3=CC=C(C=C3)[S](C)(=O)=O",3.467,4,0,3]
["S4662","Atazanavir","f10","L8100-02","in 10mM DMSO","HIV Protease,P450 (e.g. CYP17),P-gp","Proteases","Atazanavir (Latazanavir, Zrivada, Reyataz, BMS-232632) is an azapeptide and HIV-protease inhibitor that is used in the treatment of HIV infections and AIDS in combination with other anti-HIV agents. Atazanavir is a substrate and inhibitor of cytochrome P450 isozyme 3A (CYP3A4) and an inhibitor and inducer of P-glycoprotein.",704.86,"198904-31-3",{"v":71,"d":"71.00"},100.73,"<1","N/A","http://selleckchem.com/products/atazanavir-reyataz.html","C38H52N6O7","free base","Latazanavir, Zrivada, Reyataz, BMS-232632","COC(=O)NC(C(=O)NC(CC1=CC=CC=C1)C(O)CN(CC2=CC=C(C=C2)C3=NC=CC=C3)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C",{"v":4.69,"d":"4.690"},7,5,18]
["S4747","Jervine","g10","L8100-02","in 10mM DMSO","Hedgehog/Smoothened","Stem Cells & Wnt","Jervine (11-Ketocyclopamine) is a Hedgehog signaling (IC50=500-700 nM) inhibitor that inhibits the sonic hedgehog (shh) pathway by interacting with smoothened.",{"v":425.6,"d":"425.60"},"469-59-0",{"v":5,"d":"5.00"},11.75,"<1","N/A","http://selleckchem.com/products/jervine.html","C27H39NO3","free base","11-Ketocyclopamine","CC1CNC2C(C)C3(CCC4C5CC=C6CC(O)CCC6(C)C5C(=O)C4=C3C)OC2C1",3.472,2,2,0]
["S4837","Ibudilast","h10","L8100-02","in 10mM DMSO","PDE","Metabolism","Ibudilast (KC-404, AV411, MN166) is a relatively non-selective phosphodiesterase inhibitor with anti-inflammatory and neuroprotective activities.",230.31,"50847-11-5",{"v":46,"d":"46.00"},199.73,{"v":30,"d":"30.00"},130.26,"http://selleckchem.com/products/Ibudilast.html","C14H18N2O","free base","KC-404, AV411, MN166","CC(C)C(=O)C1=C2C=CC=C[N]2N=C1C(C)C",3.339,2,0,3]
["S4877","Eperisone hydrochloride","a11","L8100-02","in 10mM DMSO","Others","Others","Eperisone hydrochloride is muscle relaxant agent with antispasmodic effects. It is widely used in the treatment of patients with muscular contractures, low back pain or spasticity.",295.85,"56839-43-1",{"v":59,"d":"59.00"},199.43,"N/A","N/A","http://selleckchem.com/products/eperisone-hydrochloride.html","C17H25NO.HCl","hydrochloride","N/A","Cl.CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2",4.528,1,0,5]
["S4878","Neticonazole Hydrochloride","b11","L8100-02","in 10mM DMSO","Fungal","Microbiology","Neticonazole is an imidazole antifungal for the treatment of fungal skin infections.",{"v":338.9,"d":"338.90"},"130773-02-3",{"v":67,"d":"67.00"},{"v":197.7,"d":"197.70"},"N/A","N/A","http://selleckchem.com/products/neticonazole-hydrochloride.html","C17H22N2OS.HCl","hydrochloride","N/A","Cl.CCCCCOC1=CC=CC=C1C(=C\\SC)/[N]2C=CN=C2",3.838,2,0,8]
["S4935","Asunaprevir (BMS-650032)","c11","L8100-02","in 10mM DMSO","HCV Protease","Proteases","Asunaprevir (BMS-650032) is an orally bioavailable inhibitor of the hepatitis C virus enzyme serine protease NS3 that is necessary for protein processing required for viral replication.",748.29,"630420-16-5",{"v":100,"d":"100.00"},133.64,"<1","N/A","http://selleckchem.com/products/asunaprevir.html","C35H46ClN5O9S","free base","BMS-650032","COC1=C2C=CC(=CC2=C(OC3CC(N(C3)C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC4(CC4C=C)C(=O)N[S](=O)(=O)C5CC5)N=C1)Cl",3.565,10,3,14]
["S4976","Sulfalene (SMPZ)","d11","L8100-02","in 10mM DMSO","Others","Others","Sulfalene (SMPZ, Butadiene sulfone, 3-Sulfolene) is a cyclic organic chemical used as a versatile synthetic intermediate.",{"v":280.3,"d":"280.30"},"152-47-6",{"v":56,"d":"56.00"},199.79,"<1","N/A","http://selleckchem.com/products/sulfalene-smpz.html","C11H12N4O3S","free base","Butadiene sulfone, 3-Sulfolene","COC1=C(N[S](=O)(=O)C2=CC=C(N)C=C2)N=CC=N1",0.331,5,2,4]
["S5003","Tacrolimus (FK506)","e11","L8100-02","in 10mM DMSO","Autophagy,FKBP,phosphatase","PI3K/Akt/mTOR","Tacrolimus (FK506, FR900506, Fujimycin, Prograf) is a 23-membered macrolide lactone, it reduces peptidyl-prolyl isomerase activity in T cells by binding to the immunophilin FKBP12 (FK506 binding protein) creating a new complex. Tacrolimus also inhibits the phosphatase activity of calcineurin. Tacrolimus induces vascular endothelial autophagy.",804.02,"104987-11-3",{"v":94,"d":"94.00"},116.91,"<1","N/A","http://selleckchem.com/products/FK-506-(Tacrolimus).html","C44H69NO12","free base","FK506, FR900506, Fujimycin, Prograf","COC1CC(CCC1O)\\C=C(C)\\C2OC(=O)C3CCCCN3C(=O)C(=O)C4(O)OC(C(CC(C)C/C(=C/C(CC=C)C(=O)CC(O)C2C)C)OC)C(CC4C)OC",4.832,9,2,7]
["S5015","Simeprevir (TMC435)","f11","L8100-02","in 10mM DMSO","HCV Protease","Proteases","Simeprevir (TMC-435, TMC-435350) is a competitive, reversible, macrocyclic, noncovalent hepatitis C virus (HCV) NS3/4A protease inhibitor that acts directly against the hepatitis C virus. It has a medium inhibitory concentration (IC50) <13 nM for all HCV NS3/4A enzymes(genotypes 1a, 1b, 2, 4, 5, and 6), but has an IC50 value of 37 nM for genotype 3.",749.94,"923604-59-5",{"v":100,"d":"100.00"},133.34,"<1","N/A","http://selleckchem.com/products/simeprevir.html","C38H47N5O7S2","free base","TMC-435350","COC1=C(C)C2=NC(=CC(=C2C=C1)OC3CC4C(C3)C(=O)N(C)CCCC\\C=C/C5CC5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)C7=NC(=CS7)C(C)C",4.796,9,2,8]
["S5038","Valethamate Bromide","g11","L8100-02","in 10mM DMSO","Others","Others","Valethamate bromide (Ediposin) is an alkylbenzene which is useful for facilitating cervical ripening, dilatation and thereby decreasing the duration of labor.",386.37,"90-22-2",{"v":77,"d":"77.00"},199.29,{"v":77,"d":"77.00"},199.29,"http://www.selleckchem.com/products/valethamate-bromide.html","C19H32BrNO2","Bromide","Ediposin","[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1",{"v":0.41,"d":"0.410"},2,0,10]
["S5067","Losartan","h11","L8100-02","in 10mM DMSO","Angiotensin Receptor","GPCR & G Protein","Losartan(DuP-753) is a selective, orally administered, nonpeptide blocker of angiotensin II type 1 (AT1) receptor used to treat high blood pressure, diabetic kidney disease, heart failure, and left ventricular enlargement.",422.91,"114798-26-4",{"v":84,"d":"84.00"},198.62,{"v":-1,"d":"-1.00"},-2.36,"https://www.selleckchem.com/products/losartan.html","C22H23ClN6O","free base","DuP-753","CCCCC1=NC(=C(CO)[N]1CC2=CC=C(C=C2)C3=C(C=CC=C3)C4=NN=N[NH]4)Cl",4.241,4,2,8]
["S5094","Maduramycin Ammonium","a2","L8100-03","in 10mM DMSO","Parasite","Microbiology","Maduramicin, which could be isolated from the actinomycete Actinomadura rubra, is an antiprotozoal agent used in veterinary medicine to prevent coccidiosis.",934.16,"84878-61-5",{"v":100,"d":"100.00"},107.05,"N/A","N/A","http://selleckchem.com/products/maduramycin-ammonium.html","C47H80O17.H3N","Polyether ionophore","N/A","[NH4+].COC1CC(OC(C)C1OC)OC2CC(OC2C3(C)CCC(O3)C4(C)CCC5(CC(O)C(C)C(O5)C(C)C6OC(O)(CC([O-])=O)C(C)C(OC)C6OC)O4)C7OC(C)(O)C(C)CC7C",-1.159,12,1,13]
["S5112","alpha-Arbutin","b2","L8100-03","in 10mM DMSO","Others","Others","Alpha-arbutin (alpha-Arbutoside, 4-hydroxyphenyl-D-lucopyranoside) is a synthetic and functional active ingredient for skin lightening.",272.25,"84380-01-8",{"v":54,"d":"54.00"},198.35,"N/A","N/A","http://selleckchem.com/products/alpha-arbutin.html","C12H16O7","free base","alpha-Arbutoside, 4-hydroxyphenyl-D-lucopyranoside","OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O",{"v":0,"d":"0.000"},0,0,0]
["S5132","Casanthranol","c2","L8100-03","in 10mM DMSO","Others","Others","Casanthranol is a purified mixture of te antranol glycosides derived from Cascara sagrada.","N/A","8024-48-4",{"v":100,"d":"100.00"},"N/A","N/A","N/A","http://selleckchem.com/products/casanthranol.html","C26H44NNaO7RS","Anthraquinone laxatives","N/A","N/A",{"v":0,"d":"0.000"},0,0,0]
["S5179","Ropivacaine Mesilate","d2","L8100-03","in 10mM DMSO","Others","Others","Ropivacaine Mesilate is the mesylate form of ropivacaine, which is a member of the amino amide class of local anesthetics.",370.51,"854056-07-8",{"v":74,"d":"74.00"},199.72,{"v":-1,"d":"-1.00"},"N/A","http://www.selleckchem.com/products/ropivacaine-mesilate.html","C18H30N2O4S","Mesilate","Ropivacaine Mesylate","CCCN1CCCCC1C(=O)NC2=C(C)C=CC=C2C.C[S](O)(=O)=O",{"v":3.44,"d":"3.440"},1,1,4]
["S5233","Fenretinide (NSC 374551)","e2","L8100-03","in 10mM DMSO","Retinoid Receptor","Metabolism","Fenretinide (4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016) is a synthetic derivative of retinoic acid that has a broad-spectrum of cytotoxic activity against primary tumor cells, cell lines, and/or xenografts of various cancers (including neuroblastoma). Fenretinide (4-hydroxy(phenyl)retinamide; 4-HPR) is a synthetic derivative of retinoic acid, fenretinide can bind to retinoic acid receptor (RAR) and retinoid X receptor (RXR) at concentrations necessary to induce cell death.",391.55,"65646-68-6",{"v":78,"d":"78.00"},199.21,"<1","N/A","http://selleckchem.com/products/fenretinide.html","C26H33NO2","free base","4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016","CC1=C(\\C=C\\C(C)=C\\C=C\\C(C)=C\\C(=O)NC2=CC=C(O)C=C2)C(C)(C)CCC1",6.463,1,2,6]
["S5246","Entecavir","f2","L8100-03","in 10mM DMSO","Reverse Transcriptase","Microbiology","Entecavir(BMS200475,SQ34676), a new deoxyguanine nucleoside analogue, is a selective inhibitor of the replication of the hepatitis B virus (HBV).",277.28,"142217-69-4",{"v":55,"d":"55.00"},198.36,"<1","N/A","https://www.selleckchem.com/products/s5246-entecavir.html","C12H15N5O3","free base","BMS200475,SQ34676","NC1=NC(=O)C2=C(N1)[N](C=N2)C3CC(O)C(CO)C3=C",-1.404,3,4,2]
["S5250","Darunavir","g2","L8100-03","in 10mM DMSO","COVID-19,HIV Protease","Proteases","Darunavir (TMC114,DRV) is a nonpeptidic HIV protease inhibitor, used to treat HIV infection.",547.66,"206361-99-1",{"v":100,"d":"100.00"},{"v":182.6,"d":"182.60"},"<1","N/A","http://selleckchem.com/products/darunavir.html","C27H37N3O7S","free base","TMC114,DRV","CC(C)CN(CC(O)C(CC1=CC=CC=C1)NC(=O)OC2COC3OCCC23)[S](=O)(=O)C4=CC=C(N)C=C4",2.631,6,3,12]
["S5256","Benproperine phosphate","h2","L8100-03","in 10mM DMSO","Actin,Microtubule Associated","Cytoskeletal Signaling","Benproperine phosphate (Blascorid, Pirexyl), a cough suppressant, is an orally active, potent actin-related protein 2/3 complex subunit 2 (ARPC2) inhibitor. Benproperine phosphate attenuates the actin polymerization rate of action polymerization nucleation by impairing Arp2/3 function. Benproperine phosphate suppresses cancer cell migration and tumor metastasis.",407.44,"19428-14-9",{"v":60,"d":"60.00"},147.26,{"v":81,"d":"81.00"},{"v":198.8,"d":"198.80"},"http://selleckchem.com/products/benproperine-phosphate.html","C21H27NO.H3O4P","phosphate","Blascorid, Pirexyl phosphate","CC(COC1=C(CC2=CC=CC=C2)C=CC=C1)N3CCCCC3.O[P](O)(O)=O",4.753,1,0,6]
["S5278","Tedizolid (TR-700)","a3","L8100-03","in 10mM DMSO","Antibiotics,Bacterial","Microbiology","Tedizolid(TR-700) is an oxazolidinone-class antibiotic prodrug used for the treatment of acute bacterial skin and skin structure infections caused by susceptible isolates of several Gram-positive bacteria.",370.34,"856866-72-3",{"v":10,"d":"10.00"},{"v":27,"d":"27.00"},{"v":-1,"d":"-1.00"},{"v":-2.7,"d":"-2.70"},"https://www.selleckchem.com/products/tedizolid.html","C17H15FN6O3","Oxazolidinone","N/A","C[N]1N=NC(=N1)C2=CC=C(C=N2)C3=C(F)C=C(C=C3)N4CC(CO)OC4=O",1.784,6,1,4]
["S5291","sulfaisodimidine","b3","L8100-03","in 10mM DMSO","Bacterial","Microbiology","Sulfaisodimidine (Sulfamethin) is a sulfonamide antibacterial.",278.33,"515-64-0",{"v":55,"d":"55.00"},197.61,"N/A","N/A","http://selleckchem.com/products/sulfaisodimidine.html","C12H14N4O2S","free base","Sulfamethin, Sulfaisodimidine","CC1=CC(=NC(=N1)C)N[S](=O)(=O)C2=CC=C(N)C=C2",0.569,4,2,3]
["S5314","HTHQ (1-O-Hexyl-2,3,5-trimethylhydroquinone)","c3","L8100-03","in 10mM DMSO","ROS","Immunology & Inflammation","HTHQ (1-O-Hexyl-2,3,5-trimethylhydroquinone), which is a hydroquinone monoalkylether, is a potent anti-oxidative and anti-lipid-peroxidative agent. HTHQ(1-O-Hexyl-2,3,5-trimethylhydroquinone) has considerable anti-oxidative activity by directly reacting with reactive oxygen species (ROS), including peroxyl radicals, and scavenging them to form more stable free radicals.",236.35,"148081-72-5",{"v":47,"d":"47.00"},198.86,"N/A","N/A","http://selleckchem.com/products/hthq-1-o-hexyl-2-3-5-trimethylhydroquinone.html","C15H24O2","Hydroquinones","N/A","CCCCCCOC1=CC(=C(O)C(=C1C)C)C",5.271,1,1,6]
["S5388","Betrixaban","d3","L8100-03","in 10mM DMSO","Factor Xa","Metabolism","Betrixaban is a new, long-acting, oral and selective Factor Xa inhibitor that decreases prothrombinase activity and thrombin generation.",451.91,"330942-05-7",{"v":35,"d":"35.00"},77.45,"<1","N/A","https://www.selleckchem.com/products/betrixaban.html","C23H22ClN5O3","free base","PRT054021","COC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C(=C1)C(=O)NC3=CC=C(Cl)C=N3",2.904,4,2,7]
["S5476","Rolapitant","e3","L8100-03","in 10mM DMSO","Neurokinin Receptor","Neuronal Signaling","Rolapitant (SCH-619734) is a selective and competitive antagonist of human substance P/NK1 receptors with antiemetic activity. It has a high affinity for the human NK1 receptor of 0.66 nM and high selectivity over the human NK2 and NK3 subtypes of >1000-fold, as well as preferential affinity for human, guinea pig, gerbil and monkey NK1 receptors over rat, mouse and rabbit.",500.48,"552292-08-7",{"v":100,"d":"100.00"},199.81,"N/A","N/A","https://www.selleckchem.com/products/rolapitant.html","C25H26F6N2O2","NK1 receptor antagonists","SCH-619734","CC(OCC1(CCC2(CCC(=O)N2)CN1)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F",4.761,2,2,7]
["S5540","Landiolol hydrochloride","f3","L8100-03","in 10mM DMSO","Adrenergic Receptor","Neuronal Signaling","Landiolol hydrochloride (ONO-1101) is the hydrochloride salt form of Landiolol, which is an ultra-short-acting β1 selective adrenoceptor antagonist.",546.05,"144481-98-1",{"v":100,"d":"100.00"},183.13,{"v":100,"d":"100.00"},183.13,"https://www.selleckchem.com/products/landiolol-hydrochloride.html","C25H39N3O8.HCl","hydrochloride","ONO-1101 hydrochloride","Cl.CC1(C)OCC(COC(=O)CCC2=CC=C(OCC(O)CNCCNC(=O)N3CCOCC3)C=C2)O1",{"v":0.4,"d":"0.400"},7,3,14]
["S5594","(-)-(S)-α-terpineol","g3","L8100-03","in 10mM DMSO","Prostaglandin Receptor","GPCR & G Protein","(-)-(S)-α-terpineol, a natural monoterpene, is the major component of essential oils of several species of aromatic plants such as Origanium vulgare L. and Ocimum canum Sims which are widely used for medicinal purposes. It is widely used in the manufacturing of cosmetics, soaps, perfumes, antiseptic agents and is considered one of the most frequently used fragrance compounds. α-TPN has anticholinergic action and can block the interaction between PGE2 and GM1 receptors and cholera toxin.",154.25,"10482-56-1","The physical form of the compound is liquid, which can be dissolved in any proportion.","N/A","N/A","N/A","http://selleckchem.com/products/alpha-terpineol.html","C10H18O","free base","N/A","CC1=CCC(CC1)C(C)(C)O",2.415,0,0,1]
["S5596","(1S)-(-)-α-Pinene","h3","L8100-03","in 10mM DMSO","GABA Receptor","Neuronal Signaling","α-Pinene is found in the oils of many species of many coniferous trees, notably the pine and has insecticidal activity.  (1S)-(-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site.",136.23,"7785-26-4","The physical form of the compound is liquid, which can be dissolved in any proportion.","N/A","N/A","N/A","http://selleckchem.com/products/1s-alpha-pinene.html","C10H16","free base","N/A","CC1=CCC2CC1C2(C)C",2.872,0,0,0]
["S5605","Tos-Arg-OMe HCl","a4","L8100-03","in 10mM DMSO","Others","Others","Tos-Arg-OMe HCl, a kind of amino acid  derivatives, is a substrate for trypsin, plasmin, thrombin and orther proteases.",378.87,"1784-03-8",{"v":76,"d":"76.00"},200.59,{"v":-1,"d":"-1.00"},-2.64,"https://www.selleckchem.com/products/tos-arg-ome-hcl.html","C14H23ClN4O4S","free base","N/A","Cl.COC(=O)C(CCCNC(N)=N)N[S](=O)(=O)C1=CC=C(C)C=C1",1.131,4,3,10]
["S5654","Indacaterol","b4","L8100-03","in 10mM DMSO","Adrenergic Receptor","Neuronal Signaling","Indacaterol is an ultra-long-acting β-adrenoceptor agonist with pKi of 7.36 for β1-adrenoceptor and pKi of 5.48 for β2-adrenoceptor.",392.49,"312753-06-3",{"v":52,"d":"52.00"},132.49,"<1","N/A","http://selleckchem.com/products/indacaterol.html","C24H28N2O3","free base","N/A","CCC1=CC2=C(CC(C2)NCC(O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1CC",{"v":3.93,"d":"3.930"},1,4,6]
["S5657","Ertapenem sodium","c4","L8100-03","in 10mM DMSO","Antibiotics","Microbiology","Ertapenem Sodium (MK826) is the sodium salt of ertapenem, a long-acting, broad-spectrum antibiotic of β-lactam subclass.",{"v":497.5,"d":"497.50"},"153773-82-1",{"v":100,"d":"100.00"},201.01,{"v":100,"d":"100.00"},201.01,"http://selleckchem.com/products/ertapenem-sodium.html","C22H24N3NaO7S","sodium salt","MK826","[Na+].CC(O)C1C2C(C)C(=C(N2C1=O)C([O-])=O)SC3CNC(C3)C(=O)NC4=CC(=CC=C4)C(O)=O",-4.602,3,3,7]
["S5659","Emedastine","d4","L8100-03","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Emedastine is a potent, high affinity histamine H1-receptor-selective antagonist with Ki of 1.3 ±0.1 nM for H1-receptors while considerably weaker at H2- (K1 = 49,067 ± 11,113 nM) and H3-receptors (Ki = 12,430 ± 1,282 nM).",302.41,"87233-61-2","The physical form of the compound is liquid, which can be dissolved in any proportion.",{"v":10,"d":"10.00"},"N/A","N/A","http://selleckchem.com/products/emedastine.html","C17H26N4O","free base","N/A","CCOCC[N]1C2=C(C=CC=C2)N=C1N3CCCN(C)CC3",2.492,2,0,5]
["S5673","Mivacurium chloride","e4","L8100-03","in 10mM DMSO","Others","Others","Mivacurium chloride is a rapid, non-depolarising, neuromuscular blocking agent of short duration, used therefore as anesthetic, to provide skeletal muscle relaxation in minor surgical operations, in emergency surgical procedures of short to intermediate duration and during intubation of the trachea.",1100.17,"106861-44-3",{"v":100,"d":"100.00"},{"v":90.9,"d":"90.90"},{"v":100,"d":"100.00"},{"v":90.9,"d":"90.90"},"http://www.selleckchem.com/products/mivacurium-chloride.html","C58H80Cl2N2O14","chloride","N/A","[Cl-].[Cl-].COC1=CC2=C(C=C1OC)C(CC3=CC(=C(OC)C(=C3)OC)OC)[N+](C)(CCCOC(=O)CC\\C=C\\CCC(=O)OCCC[N+]4(C)CCC5=C(C=C(OC)C(=C5)OC)C4CC6=CC(=C(OC)C(=C6)OC)OC)CC2",0.836,14,0,30]
["S5697","Isopropamide Iodide","f4","L8100-03","in 10mM DMSO","Others","Others","Isopropamide iodide is a long-acting quaternary anticholinergic drug used in the treatment of peptic ulcer and other gastrointestinal disorders.",480.43,"71-81-8",{"v":96,"d":"96.00"},199.82,{"v":11,"d":"11.00"},{"v":22.9,"d":"22.90"},"http://www.selleckchem.com/products/isopropamide-Iodide.html","C23H33IN2O","Iodide","N/A","[I-].CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C",-0.328,1,1,8]
["S5698","Ketorolac tromethamine salt","g4","L8100-03","in 10mM DMSO","COX","Immunology & Inflammation","Ketorolac tromethamine is a synthetic pyrrolizine carboxylic acid derivative with anti-inflammatory, analgesic and antipyretic properties. It is a non-selective COX inhibitor with IC50s of 20 nM for both COX-1 and COX-2.",{"v":376.4,"d":"376.40"},"74103-07-4",{"v":75,"d":"75.00"},199.26,{"v":75,"d":"75.00"},199.26,"http://www.selleckchem.com/products/ketorolac-tromethamine-salt.html","C19H24N2O6","tromethamine salt","N/A","NC(CO)(CO)CO.OC(=O)C1CC[N]2C1=CC=C2C(=O)C3=CC=CC=C3",-2.028,2,4,6]
["S5716","Abemaciclib (LY2835219)","h4","L8100-03","in 10mM DMSO","CDK","Cell Cycle","Abemaciclib (LY2835219) is a cell cycle inhibitor selective for CDK4/6 with IC50 of 2 nM and 10 nM in cell-free assays, respectively.",506.59,"1231929-97-7",{"v":6,"d":"6.00"},11.84,"<1","N/A","http://selleckchem.com/products/abemaciclib.html","C27H32F2N8","free base","LY2835219","CCN1CCN(CC1)CC2=CN=C(NC3=NC=C(F)C(=N3)C4=CC(=C5N=C(C)[N](C(C)C)C5=C4)F)C=C2",4.957,4,1,7]
["S5718","Acrivastine","a5","L8100-03","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Acrivastine(BW825C) is an antihistamine medicine that relieves the symptoms of allergies.",348.44,"87848-99-5",{"v":10,"d":"10.00"},{"v":28.7,"d":"28.70"},{"v":-1,"d":"-1.00"},"N/A","http://www.selleckchem.com/products/acrivastine.html","C22H24N2O2","Free Base","BW825C","CC1=CC=C(C=C1)C(=C\\CN2CCCC2)/C3=CC=CC(=N3)\\C=C\\C(O)=O",1.566,2,0,6]
["S5720","Glecaprevir","b5","L8100-03","in 10mM DMSO","HCV Protease","Proteases","Glecaprevir(ABT-493) is a hepatitis C virus (HCV) nonstructural (NS) protein 3/4A protease inhibitor that targets the the viral RNA replication.  It displays IC50 values ranging from 3.5 to 11.3 nM for clinical isolates of HCV genotypes 1a, 1b, 2a, 2b, 3a, 4a, 5a, and 6a.",838.87,"1365970-03-1",{"v":100,"d":"100.00"},119.21,{"v":-1,"d":"-1.00"},"N/A","http://www.selleckchem.com/products/glecaprevir.html","C38H46F4N6O9S","Free Base","ABT-493","CC(C)(C)C1NC(=O)OC2CCCC2OC\\C=C\\C(F)(F)C3=NC4=C(C=CC=C4)N=C3OC5CC(N(C5)C1=O)C(=O)NC6(CC6C(F)F)C(=O)N[S](=O)(=O)C7(C)CC7",3.746,11,3,7]
["S5815","WAY-316606","c5","L8100-03","in 10mM DMSO","SFRP,Wnt/beta-catenin","Stem Cells & Wnt","WAY-316606, a specific antagonist of SFRP1, functions as an activator of canonical Wnt/β-catenin signalling in the human hair bulb.",448.48,"915759-45-4",{"v":90,"d":"90.00"},200.68,{"v":1,"d":"1.00"},2.23,"http://www.selleckchem.com/products/way-316606.html","C18H19F3N2O4S2","Free Base","N/A","FC(F)(F)C1=CC=C(C=C1[S](=O)(=O)NC2CCNCC2)[S](=O)(=O)C3=CC=CC=C3",{"v":2.36,"d":"2.360"},4,2,6]
["S5829","Monomyristin","d5","L8100-03","in 10mM DMSO","Fungal","Microbiology","Monomyristin (Glyceryl myristate, 2,3-Dihydroxypropyl tetradecanoate), a monoacylglyceride, shows high antibacterial and antifungal activities.",302.45,"589-68-4",{"v":60,"d":"60.00"},198.38,{"v":1,"d":"1.00"},3.31,"http://www.selleckchem.com/products/monomyristin.html","C17H34O4","Free Base","Glyceryl myristate; 2,3-Dihydroxypropyl tetradecanoate","CCCCCCCCCCCCCC(=O)OCC(O)CO",4.656,2,2,16]
["S5925","Olodaterol hydrochloride","e5","L8100-03","in 10mM DMSO","Adrenergic Receptor","Neuronal Signaling","Olodaterol hydrochloride (BI-1744) is the hydrochloride salt form of Olodaterol, which is a long-acting beta2-adrenergic agonist.",{"v":422.9,"d":"422.90"},"869477-96-3",{"v":85,"d":"85.00"},200.99,{"v":85,"d":"85.00"},200.99,"http://www.selleckchem.com/products/olodaterol-hydrochloride.html","C21H27ClN2O5","hydrochloride","BI-1744 HCl","Cl.COC1=CC=C(CC(C)(C)NCC(O)C2=C3OCC(=O)NC3=CC(=C2)O)C=C1",2.257,3,4,7]
["S6407","Tulobuterol hydrochloride","f5","L8100-03","in 10mM DMSO","Androgen Receptor","Neuronal Signaling","Tulobuterol is a long-acting β2-adrenergic receptor agonist that has bronchodilatory, anti-inflammatory, and antiviral activities.",264.19,"56776-01-3",{"v":53,"d":"53.00"},200.61,{"v":53,"d":"53.00"},200.61,"http://www.selleck.cn/products/tulobuterol-hydrochloride.html","C12H19Cl2NO","hydrochloride","N/A","Cl.CC(C)(C)NCC(O)C1=C(Cl)C=CC=C1",2.834,0,2,4]
["S6423","Tildipirosin","g5","L8100-03","in 10mM DMSO","Antibiotics","Microbiology","Tildipirosin is a 16-membered ring, tribasic and semi-synthetic macrolide antibiotic.",734.02,"328898-40-4",{"v":100,"d":"100.00"},136.24,{"v":-1,"d":"-1.00"},"N/A","http://www.selleck.cn/products/tildipirosin.html","C41H71N3O8","Free Base","N/A","CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN3CCCCC3)CC(C)C(=O)/C=C/C(=C/C1CN4CCCCC4)C",4.859,5,3,9]
["S6435","Mequitazine","h5","L8100-03","in 10mM DMSO","Histamine Receptor","Neuronal Signaling","Mequitazine (LM-209) is a histamine H1 antagonist which competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract.",322.47,"29216-28-2",{"v":32,"d":"32.00"},99.23,"<1","N/A","http://www.selleck.cn/products/mequitazine.html","C20H22N2S","Free Base","LM-209","C1CN2CCC1C(C2)CN3C4=C(SC5=C3C=CC=C5)C=CC=C4",4.409,0,0,2]
["S6465","Tafamidis","a6","L8100-03","in 10mM DMSO","5-HT Receptor","Neuronal Signaling","Tafamidis is a kinetic stabilizer of transthyretin (TTR) that prevents amyloidogenesis by wild-type and mutant TTRs.",308.12,"594839-88-0",{"v":31,"d":"31.00"},100.61,"<1","N/A","http://www.selleck.cn/products/tafamidis.html","C14H7Cl2NO3","Free Base","N/A","OC(=O)C1=CC=C2N=C(OC2=C1)C3=CC(=CC(=C3)Cl)Cl",4.239,3,0,2]
["S6469","Thonzylamine","b6","L8100-03","in 10mM DMSO","AChR,Histamine Receptor","Neuronal Signaling","Thonzylamine (Neohetramine) is an antihistamine and anticholinergic drug.",286.37,"91-85-0",{"v":57,"d":"57.00"},199.04,{"v":57,"d":"57.00"},199.04,"http://www.selleck.cn/products/thonzylamine.html","C16H22N4O","Free Base","Neohetramine","COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1",{"v":2.44,"d":"2.440"},3,0,7]
["S6511","RIPA-56","c6","L8100-03","in 10mM DMSO","RIP kinase","Apoptosis","RIPA-56 is a highly-potent, selective, and metabolically stable RIP1 (RIPK1) inhibitor.",{"v":221.3,"d":"221.30"},"1956370-21-0",{"v":44,"d":"44.00"},198.83,"<1","N/A","http://www.selleck.cn/products/ripa-56.html","C13H19NO2","free base","N/A","CCC(C)(C)C(=O)N(O)CC1=CC=CC=C1",2.972,1,0,4]
["S6520","WHI-P180","d6","L8100-03","in 10mM DMSO","c-RET,VEGFR","Protein Tyrosine Kinase","WHI-P180 is a multi-kinase inhibitor with IC50 values of 4.5 and 66 nM for the human proto-oncogene RET (c-RET) and kinase insert domain receptor (KDR), respectively.",297.31,"211555-08-7",{"v":59,"d":"59.00"},198.45,"<1","N/A","http://www.selleck.cn/products/whi-p180.html","C16H15N3O3","free base","N/A","COC1=CC2=NC=NC(=C2C=C1OC)NC3=CC(=CC=C3)O",3.202,4,2,4]
["S6527","Kobe2602","e6","L8100-03","in 10mM DMSO","Ras","Cell Cycle","Kobe2602 is a selective Ras inhibitor that blocks H-Ras GTP binding to c-Raf-1 (Ki = 149 µM).",419.31,"454453-49-7",{"v":84,"d":"84.00"},200.33,"<1","N/A","http://www.selleck.cn/products/kobe2602.html","C14H9F4N5O4S","free base","N/A","[O-][N+](=O)C1=CC(=CC(=C1NNC(=S)NC2=CC=C(F)C=C2)[N+]([O-])=O)C(F)(F)F",4.976,0,3,8]
["S6605","AR7","f6","L8100-03","in 10mM DMSO","Retinoid Receptor","Metabolism","AR7 is a retinoic acid receptor α (RARα) antagonist.",257.71,"80306-38-3",{"v":4,"d":"4.00"},15.52,"<1","N/A","http://www.selleck.cn/products/ar7.html","C15H12ClNO","free base","N/A","CC1=CC=C(C=C1)C2=NC3=C(OC2)C=C(Cl)C=C3",4.227,2,0,1]
["S7007","Binimetinib (MEK162)","g6","L8100-03","in 10mM DMSO","Apoptosis related,Autophagy,MEK","MAPK","Binimetinib (MEK162, ARRY-162, ARRY-438162) is a potent inhibitor of MEK1/2 with IC50 of 12 nM in a cell-free assay. Binimetinib induces G1 cell cycle arrest and apoptosis in human NSCLC cell lines and induces autophagy. Phase 3.",441.23,"606143-89-9",{"v":88,"d":"88.00"},199.44,"<1","N/A","http://selleckchem.com/products/mek162.html","C17H15BrF2N4O3","free base","ARRY-162,ARRY-438162","C[N]1C=NC2=C1C=C(C(=O)NOCCO)C(=C2F)NC3=C(F)C=C(Br)C=C3",2.775,3,3,6]
["S7009","LCL161","h6","L8100-03","in 10mM DMSO","IAP,Mitochondrial Metabolism","Apoptosis","LCL-161, a small molecule second mitochondrial activator of caspase (SMAC) mimetic, potently binds to and inhibits multiple IAPs (i.e. XIAP, c-IAP).",500.63,"1005342-46-0",{"v":100,"d":"100.00"},199.75,"<1","N/A","http://selleckchem.com/products/lcl161.html","C26H33FN4O3S","free base","N/A","CNC(C)C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C3=NC(=CS3)C(=O)C4=CC=C(F)C=C4",3.785,4,2,8]
["S7010","GDC-0152","a7","L8100-03","in 10mM DMSO","IAP","Apoptosis","GDC-0152 is a potent antagonist of XIAP-BIR3, ML-IAP-BIR3, cIAP1-BIR3 and cIAP2-BIR3 with Ki of 28 nM, 14 nM, 17 nM and 43 nM in cell-free assays, respectively; less affinity shown to cIAP1-BIR2 and cIAP2-BIR2. Phase 1.",498.64,"873652-48-3",{"v":99,"d":"99.00"},198.54,{"v":3,"d":"3.00"},6.02,"http://selleckchem.com/products/gdc-0152.html","C25H34N6O3S","free base","N/A","CNC(C)C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=NS3)C4=CC=CC=C4",2.767,5,3,8]
["S7015","Birinapant (TL32711)","b7","L8100-03","in 10mM DMSO","Apoptosis related,HIV,IAP","Apoptosis","Birinapant (TL32711) is a SMAC mimetic antagonist, mostly to cIAP1 with Kd of <1 nM in a cell-free assay, less potent to XIAP. Birinapant helps to induce apoptosis in latent HIV-1-infected cells. Phase 2.",806.94,"1260251-31-7",{"v":100,"d":"100.00"},123.92,"<1","N/A","http://selleckchem.com/products/birinapant-tl32711.html","C42H56F2N8O6","free base","TL32711","CCC(NC(=O)C(C)NC)C(=O)N1CC(O)CC1CC2=C([NH]C3=C2C=CC(=C3)F)C4=C(CC5CC(O)CN5C(=O)C(CC)NC(=O)C(C)NC)C6=C([NH]4)C=C(F)C=C6",{"v":3.08,"d":"3.080"},4,8,15]
["S7025","Embelin","c7","L8100-03","in 10mM DMSO","Antineoplastic and Immunosuppressive Antibiotics,IAP","Apoptosis","Embelin (Embelic Acid, NSC 91874), a quinone isolated from the Japanese Ardisia herb, is an inhibitor of X-linked inhibitor of apoptosis (XIAP) with IC50 of 4.1 μM in a cell-free assay.",294.39,"550-24-3",{"v":59,"d":"59.00"},200.41,"<1","N/A","http://selleckchem.com/products/embelin.html","C17H26O4","free base","Embelic Acid, NSC 91874","CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O",{"v":4.62,"d":"4.620"},2,2,10]
["S7028","Duvelisib (IPI-145)","d7","L8100-03","in 10mM DMSO","PI3K","Angiogenesis","Duvelisib (IPI-145, INK1197) is a novel and selective PI3K δ/γ inhibitor with Ki and IC50 of 23 pM/243 pM and 1 nM/50 nM in cell-free assays, highly selective for PI3K δ/γ than other protein kinases. Phase 3.",416.86,"1201438-56-3",{"v":83,"d":"83.00"},199.11,"<1","N/A","http://selleckchem.com/products/ipi-145-ink1197.html","C22H17ClN6O","free base","INK1197","CC(NC1=NC=NC2=C1N=C[NH]2)C3=CC4=CC=CC(=C4C(=O)N3C5=CC=CC=C5)Cl",3.648,4,2,4]
["S7030","RG-7112","e7","L8100-03","in 10mM DMSO","MDM2/MDMX,p53","Apoptosis","RG7112 (RO5045337) is an orally bioavailable and selective p53-MDM2 inhibitor with HTRF IC50 of 18 nM.",726.28,"939981-39-2",{"v":100,"d":"100.00"},137.69,"<1","N/A","http://selleckchem.com/products/rg-7112.html","C38H48Cl2N4O4S","free base","RO5045337","CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C)(C3=CC=C(Cl)C=C3)C(C)(N2C(=O)N4CCN(CCC[S](C)(=O)=O)CC4)C5=CC=C(Cl)C=C5",7.622,5,0,10]
["S7083","Ceritinib (LDK378)","f7","L8100-03","in 10mM DMSO","ALK,FLT3,IGF-1R,Serine/threonin kinase","Protein Tyrosine Kinase","Ceritinib (LDK378) is a potent inhibitor against ALK with IC50 of 0.2 nM in cell-free assays. Ceritinib (LDK378) also inhibits IGF-1R, InsR, STK22D and FLT3 with IC50 of 8 nM, 7 nM, 23 nM and 60 nM, respectively. Phase 3.",558.14,"1032900-25-6",{"v":20,"d":"20.00"},35.83,"<1","N/A","http://selleckchem.com/products/ldk378.html","C28H36ClN5O3S","free base","N/A","CC(C)OC1=C(NC2=NC(=C(Cl)C=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=C(C)C(=C1)C4CCNCC4",6.479,5,3,9]
["S7088","UNC1215","g7","L8100-03","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","UNC1215 is a potent and selective MBT (malignant brain tumor) antagonist, which binds L3MBTL3 with IC50 of 40 nM and Kd of 120 nM, 50-fold selective versus other members of the human MBT family.",529.72,"1415800-43-9",{"v":100,"d":"100.00"},188.78,"<1","N/A","http://selleckchem.com/products/nuc1215.html","C32H43N5O2","free base","N/A","O=C(N1CCC(CC1)N2CCCC2)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6",3.351,2,1,6]
["S7110","(+)-JQ1","h7","L8100-03","in 10mM DMSO","Autophagy,Epigenetic Reader Domain,NSD,Target Protein Ligand","Epigenetics","(+)-JQ1 is a BET bromodomain inhibitor, with IC50 of 77 nM/33 nM for BRD4(1/2) in cell-free assays, binding to all bromodomains of the BET family, but not to bromodomains outside the BET family. (+)-JQ1 suppresses cell proliferation via inducing autophagy. (+)-JQ1 inhibits the expression of Nuclear receptor binding SET domain protein 3 (NSD3) target genes.",456.99,"1268524-70-4",{"v":91,"d":"91.00"},199.13,"<1","N/A","http://selleckchem.com/products/jq1.html","C23H25ClN4O2S","free base","N/A","CC1=C(C)C2=C(S1)[N]3C(=NN=C3C(CC(=O)OC(C)(C)C)N=C2C4=CC=C(Cl)C=C4)C",4.953,5,0,5]
["S7126","Marinopyrrole A (Maritoclax)","a8","L8100-03","in 10mM DMSO","Bcl-2","Apoptosis","Marinopyrrole A (Maritoclax) is a selective Mcl-1 antagonist. It binds to Mcl-1, but not Bcl-XL, and targets Mcl-1 for proteasomal degradation. Maritoclax disrupts the interaction between Bim and Mcl-1 with an IC50 of 10.1 μM.",510.15,"1227962-62-0",{"v":100,"d":"100.00"},196.02,"<1","N/A","http://selleckchem.com/products/marinopyrrole-a-maritoclax.html","C22H12Cl4N2O4","free base","N/A","OC1=CC=CC=C1C(=O)C2=C([N]3C(=C(Cl)C=C3C(=O)C4=CC=CC=C4O)Cl)C(=C(Cl)[NH]2)Cl",6.953,2,3,5]
["S7153","10058-F4","b8","L8100-03","in 10mM DMSO","Apoptosis related,Autophagy,Myc","Cell Cycle","10058-F4 is a c-Myc inhibitor that specificallly inhibits the c-Myc-Max interaction and prevents transactivation of c-Myc target gene expression. 10058-F4 promotes a caspase-3-dependent apoptosis and modulates autophagy.",249.35,"403811-55-2",{"v":49,"d":"49.00"},196.51,"<1","N/A","http://selleckchem.com/products/10058-f4.html","C12H11NOS2","free base","N/A","CCC1=CC=C(C=C1)\\C=C/2SC(=S)NC2=O",3.783,1,1,2]
["S7189","Molibresib (I-BET-762)","c8","L8100-03","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","Molibresib (I-BET-762, GSK525762, GSK525762A) is an inhibitor for BET proteins with IC50 of ~35 nM in a cell-free assay, suppresses the production of proinflammatory proteins by macrophages and blocks acute inflammation, highly selective over other bromodomain-containing proteins.",{"v":423.9,"d":"423.90"},"1260907-17-2",{"v":84,"d":"84.00"},198.16,"<1","N/A","http://selleckchem.com/products/i-bet-762.html","C22H22ClN5O2","free base","GSK525762, GSK525762A","CCNC(=O)CC1N=C(C2=CC=C(Cl)C=C2)C3=CC(=CC=C3[N]4C(=NN=C14)C)OC",3.288,5,1,5]
["S7205","Idasanutlin (RG-7388)","d8","L8100-03","in 10mM DMSO","MDM2/MDMX","Apoptosis","Idasanutlin (RG-7388) is a potent and selective p53-MDM2 inhibitor with IC50 of 6 nM showing improved in vitro binding as well as cellular potency/selectivity.",616.48,"1229705-06-9",{"v":100,"d":"100.00"},162.21,"<1","N/A","http://selleckchem.com/products/idasanutlin-rg-7388.html","C31H29Cl2F2N3O4","free base","N/A","COC1=C(NC(=O)C2NC(CC(C)(C)C)C(C#N)(C2C3=C(F)C(=CC=C3)Cl)C4=CC=C(Cl)C=C4F)C=CC(=C1)C(O)=O",{"v":3.85,"d":"3.850"},3,2,8]
["S7224","Deltarasin","e8","L8100-03","in 10mM DMSO","PDE,Ras","Metabolism","Deltarasin is a small molecular inhibitor of KRAS-PDEδ interaction with Kd of 38 nM for binding to purified PDEδ.",603.75,"1440898-61-2",{"v":100,"d":"100.00"},165.63,"<1","N/A","http://selleckchem.com/products/deltarasin.html","C40H37N5O","free base","N/A","C1CC(CCN1)C(COC2=CC=C(C=C2)C3=NC4=C(C=CC=C4)[N]3CC5=CC=CC=C5)[N]6C7=CC=CC=C7N=C6C8=CC=CC=C8",{"v":8.52,"d":"8.520"},3,1,9]
["S7295","Apabetalone (RVX-208)","f8","L8100-03","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","Apabetalone (RVX-208, RVX-000222) is a potent BET bromodomain inhibitor with IC50 of 0.510 μM for BD2 in a cell-free assay, about 170-fold selectivity over BD1. Phase 2.",{"v":370.4,"d":"370.40"},"1044870-39-4",{"v":74,"d":"74.00"},199.78,"<1","N/A","http://selleckchem.com/products/rvx-208.html","C20H22N2O5","free base","RVX-000222","COC1=CC(=C2C(=O)NC(=NC2=C1)C3=CC(=C(OCCO)C(=C3)C)C)OC",2.877,5,2,6]
["S7297","Osimertinib (AZD9291)","g8","L8100-03","in 10mM DMSO","EGFR","Protein Tyrosine Kinase","Osimertinib (AZD9291) is an oral, irreversible, and mutant-selective EGFR inhibitor with IC50 of 12.92, 11.44 and 493.8 nM for Exon 19 deletion EGFR, L858R/T790M EGFR, and WT EGFR in LoVo cells, respectively. Phase 3.",499.61,"1421373-65-0",{"v":99,"d":"99.00"},198.15,"<1","N/A","http://selleckchem.com/products/azd9291.html","C28H33N7O2","free base","Mereletinib","COC1=C(NC2=NC=CC(=N2)C3=C[N](C)C4=C3C=CC=C4)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C",4.671,4,2,10]
["S7304","CPI-203","h8","L8100-03","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","CPI-203 is a potent BET bromodomain inhibitor with IC50 of 37 nM for BRD4.",{"v":399.9,"d":"399.90"},"1446144-04-2",{"v":79,"d":"79.00"},197.55,"<1","N/A","http://selleckchem.com/products/cpi-203.html","C19H18ClN5OS","free base","N/A","CC1=C(C)C2=C(S1)[N]3C(=NN=C3C(CC(N)=O)N=C2C4=CC=C(Cl)C=C4)C",3.168,4,1,3]
["S7305","MS436","a9","L8100-03","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","MS436 is a selective BET bromodomain inhibitor with Ki of <0.085 μM and 0.34 μM for BRD4 (1) and BRD4 (2), respectively.",383.42,"1395084-25-9",{"v":55,"d":"55.00"},143.45,"<1","N/A","http://selleckchem.com/products/ms436.html","C18H17N5O3S","free base","N/A","CC1=C(O)C=C(N)C(=C1)N=NC2=CC=C(C=C2)[S](=O)(=O)NC3=CC=CC=N3",3.573,5,3,5]
["S7320","TG003","b9","L8100-03","in 10mM DMSO","CDK","Cell Cycle","TG003 is a potent and ATP-competitive Cdc2-like kinase (Clk) inhibitor with IC50 of 20 nM, 200 nM, and 15 nM for Clk1, Clk2, and Clk4, respectively. No inhibitory effect on Clk3, SRPK1, SRPK2, or PKC.",249.33,"300801-52-9",{"v":6,"d":"6.00"},24.06,"<1","N/A","http://selleckchem.com/products/tg003.html","C13H15NO2S","free base","N/A","CCN1\\C(SC2=C1C=C(OC)C=C2)=C\\C(C)=O",3.024,2,0,3]
["S7360","Birabresib (OTX015)","c9","L8100-03","in 10mM DMSO","Epigenetic Reader Domain,NSD","Epigenetics","Birabresib (OTX015, MK 8628) is a potent BET bromodomain inhibitor with EC50 ranging from 10 to 19 nM for BRD2, BRD3, and BRD4 in cell-free assays. Birabresib inhibits the expression of Nuclear receptor binding SET domain protein 3 (NSD3) target genes.",491.99,"202590-98-5",{"v":98,"d":"98.00"},199.19,"<1","N/A","http://selleckchem.com/products/otx015.html","C25H22ClN5O2S","free base","MK 8628","CC1=C(C)C2=C(S1)[N]3C(=NN=C3C(CC(=O)NC4=CC=C(O)C=C4)N=C2C5=CC=C(Cl)C=C5)C",4.709,4,2,4]
["S7369","4EGI-1","d9","L8100-03","in 10mM DMSO","Apoptosis related,eIF,mTOR","Cell Cycle","4EGI-1 is a competitive eIF4E/eIF4G interaction inhibitor by binding to eIF4E with KD of 25 μM. 4EGI-1 specifically inhibits the function of mTOR by blocking the activation of 4E-BP1. 4EGI-1 induces apoptosis.",451.28,"315706-13-9",{"v":90,"d":"90.00"},199.43,"<1","N/A","http://selleckchem.com/products/4egi-1.html","C18H12Cl2N4O4S","free base","N/A","OC(=O)C(/CC1=CC=CC=C1[N+]([O-])=O)=N/NC2=NC(=CS2)C3=CC=C(Cl)C(=C3)Cl",5.397,3,1,7]
["S7370","4E1RCat","e9","L8100-03","in 10mM DMSO","eIF","Cell Cycle","4E1RCat is a dual inhibitor of eIF4E:eIF4G and eIF4E:4E-BP1 interaction, and inhibits the binding of eIF4G to eIF4E with IC50 of 3.2 μM.",478.45,"328998-25-0",{"v":96,"d":"96.00"},200.65,"<1","N/A","http://selleckchem.com/products/4e1rcat.html","C28H18N2O6","free base","N/A","OC(=O)C1=CC=C(C=C1)N2C(=O)\\C(=C\\C3=CC=C(O3)C4=CC=C(C=C4)[N+]([O-])=O)C=C2C5=CC=CC=C5",5.414,3,0,6]
["S7381","Pepstatin A","f9","L8100-03","in 10mM DMSO","Autophagy,Cysteine Protease,HIV Protease","Proteases","Pepstatin A (Pepstatin) is a potent aspartic protease inhibitor, and also inhibits HIV replication. Pepstatin A is also an inhibitor of cathepsins D and cathepsins E. Pepstatin A inhibits autophagy by suppressing lysosomal proteases.",685.89,"26305-03-3",{"v":57,"d":"57.00"},{"v":83.1,"d":"83.10"},"<1","N/A","http://selleckchem.com/products/pepstatin-a.html","C34H63N5O9","free base","Pepstatin","CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(O)=O",2.301,6,7,22]
["S7397","Sorafenib (BAY 43-9006)","g9","L8100-03","in 10mM DMSO","Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR","MAPK","Sorafenib (BAY 43-9006, NSC-724772) is a multikinase inhibitor of Raf-1 and B-Raf with IC50 of 6 nM and 22 nM in cell-free assays, respectively. Sorafenib inhibits VEGFR-2, VEGFR-3, PDGFR-β, Flt-3 and c-KIT with IC50 of 90 nM, 20 nM, 57 nM, 59 nM and 68 nM, respectively. Sorafenib induces autophagy and apoptosis and activates ferroptosis with anti-tumor activity.",464.82,"284461-73-0",{"v":63,"d":"63.00"},135.54,"<1","N/A","http://selleckchem.com/products/sorafenib.html","C21H16ClF3N4O3","Free Base","NSC-724772,BAY 43-9006","CNC(=O)C1=CC(=CC=N1)OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2",4.175,4,3,6]
["S7440","Ribociclib (LEE011)","h9","L8100-03","in 10mM DMSO","CDK","Cell Cycle","Ribociclib (LEE011) is an orally available, and highly specific inhibitor of CDK4 and CDK6 with IC50 of 10 nM and 39 nM. Phase 3.",434.54,"1211441-98-3",{"v":7,"d":"7.00"},16.11,"<1","N/A","http://selleckchem.com/products/lee011.html","C23H30N8O","free base","N/A","CN(C)C(=O)C1=CC2=CN=C(NC3=NC=C(C=C3)N4CCNCC4)N=C2[N]1C5CCCC5",{"v":2.9,"d":"2.900"},4,2,5]
["S7493","INH1","a10","L8100-03","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","INH1 (IBT 13131) is a cell-permeable Hec1 inhibitor, which specifically disrupts the Hec1/Nek2 interaction.",{"v":308.4,"d":"308.40"},"313553-47-8",{"v":61,"d":"61.00"},{"v":197.8,"d":"197.80"},"<1","N/A","http://selleckchem.com/products/inh1.html","C18H16N2OS","free base","IBT 13131","CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C",4.531,2,1,3]
["S7494","INH6","b10","L8100-03","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","INH6 is a potent Hec1 inhibitor, which specifically disrupts the Hec1/Nek2 interaction and causes chromosome mis-alignment.",322.42,"1001753-24-7",{"v":64,"d":"64.00"},{"v":198.5,"d":"198.50"},"<1","N/A","http://selleckchem.com/products/inh6.html","C19H18N2OS","free base","N/A","CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C",5.017,2,1,3]
["S7495","TAI-1","c10","L8100-03","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","TAI-1 is a potent and specific Hec1 inhibitor, which disrupts Hec1-Nek2 protein interaction.",431.51,"1334921-03-7",{"v":86,"d":"86.00"},{"v":199.3,"d":"199.30"},"<1","N/A","http://selleckchem.com/products/tai-1.html","C24H21N3O3S","free base","N/A","COC1=CC=C(OC2=CC(=C(C(=C2)C)C3=CSC(=N3)NC(=O)C4=CC=NC=C4)C)C=C1",4.924,5,1,6]
["S7497","CK-636","d10","L8100-03","in 10mM DMSO","Actin,Microtubule Associated","Cytoskeletal Signaling","CK-636 (CK-0944636) is an Arp2/3 complex inhibitor with IC50 of 4 μM, 24 μM and 32 μM for inhibition of actin polymerization induced by human, fission yeast and bovine Arp2/3 complex, respectively.",284.38,"442632-72-6",{"v":57,"d":"57.00"},200.44,"<1","N/A","http://selleckchem.com/products/ck-636.html","C16H16N2OS","free base","CK-0944636","CC1=C(CCNC(=O)C2=CC=CS2)C3=CC=CC=C3[NH]1",3.335,1,2,4]
["S7536","Lorlatinib (PF-6463922)","e10","L8100-03","in 10mM DMSO","ALK,Apoptosis related,ROS1","Protein Tyrosine Kinase","Lorlatinib (PF-6463922) is a potent, dual ALK/ROS1 inhibitor with Ki of <0.02 nM, <0.07 nM, and 0.7 nM for ROS1, ALK (WT), and ALK (L1196M), respectively. PF-06463922 induces apoptosis. Phase 1.",406.41,"1454846-35-5",{"v":81,"d":"81.00"},199.31,"<1","N/A","http://selleckchem.com/products/pf-06463922.html","C21H19FN6O2","free base","N/A","CC1OC2=C(N)N=CC(=C2)C3=C(C#N)[N](C)N=C3CN(C)C(=O)C4=C1C=C(F)C=C4",2.343,4,1,0]
["S7579","Ledipasvir (GS5885)","f10","L8100-03","in 10mM DMSO","COVID-19,HCV Protease","Microbiology","Ledipasvir (GS5885) is a HCV NS5A polymerase inhibitor, used for the treatment of hepatitis C virus infection.",{"v":889,"d":"889.00"},"1256388-51-8",{"v":100,"d":"100.00"},112.49,"<1","N/A","http://selleckchem.com/products/ledipasvir-gs5885.html","C49H54F2N8O6","free base","N/A","COC(=O)NC(C(C)C)C(=O)N1C2CCC(C2)C1C3=NC4=CC=C(C=C4[NH]3)C5=CC=C6C7=CC=C(C=C7C(F)(F)C6=C5)C8=CN=C([NH]8)C9CCC%10(CC%10)N9C(=O)C(NC(=O)OC)C(C)C",7.304,8,4,12]
["S7618","MI-2 (Menin-MLL Inhibitor)","g10","L8100-03","in 10mM DMSO","Histone Methyltransferase,MLL","Epigenetics","MI-2 (Menin-MLL Inhibitor) is a potent menin-MLL interaction inhibitor with IC50 of 446 nM.",375.55,"1271738-62-5",{"v":75,"d":"75.00"},199.71,"<1","N/A","http://selleckchem.com/products/mi-2-menin-mll-inhibitor.html","C18H25N5S2","free base","N/A","CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(C)(C)S4",4.161,3,0,4]
["S7619","MI-3 (Menin-MLL Inhibitor)","h10","L8100-03","in 10mM DMSO","Histone Methyltransferase,MLL","Epigenetics","MI-3 (Menin-MLL Inhibitor) is a potent menin-MLL interaction inhibitor with IC50 of 648 nM.",375.55,"1271738-59-0",{"v":19,"d":"19.00"},50.59,"<1","N/A","http://selleckchem.com/products/mi-3-menin-mll-inhibitor.html","C18H25N5S2","free base","N/A","CC(C)C1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(C)(C)S4",4.168,3,0,3]
["S7620","GSK1324726A (I-BET726)","a11","L8100-03","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","GSK1324726A (I-BET726) is a highly selective inhibitor of BET family proteins with IC50 of 41 nM, 31 nM, and 22 nM for BRD2, BRD3, and BRD4, respectively.",434.91,"1300031-52-0",{"v":86,"d":"86.00"},197.74,"<1","N/A","http://selleckchem.com/products/gsk1324726a-i-bet726.html","C25H23ClN2O3","free base","N/A","CC1CC(NC2=CC=C(Cl)C=C2)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(O)=O)N1C(C)=O",4.648,2,1,4]
["S7649","MI-773 (SAR405838)","b11","L8100-03","in 10mM DMSO","MDM2/MDMX,p53","Apoptosis","MI-773 (SAR405838) is an orally available MDM2 antagonist with Ki of 0.88 nM. Phase 1.",{"v":562.5,"d":"562.50"},"1303607-60-4",{"v":100,"d":"100.00"},177.78,"<1","N/A","http://selleckchem.com/products/mi-773-sar405838.html","C29H34Cl2FN3O3","free base","N/A","CC(C)(C)CC1NC(C(C2=CC=CC(=C2F)Cl)C13C(=O)NC4=C3C=CC(=C4)Cl)C(=O)NC5CCC(O)CC5",4.856,2,4,5]
["S7678","Sacubitril/valsartan (LCZ696)","c11","L8100-03","in 10mM DMSO","Angiotensin Receptor,Apoptosis related,Neprilysin","Proteases","Sacubitril/valsartan (LCZ696, Sacubitril, Valsartan), consisting of valsartan and sacubitril in 1:1 molar ratio, is an orally bioavailable, dual-acting angiotensin receptor-neprilysin inhibitor (ARNi) for hypertension and heart failure. Phase 3.",915.98,"936623-90-4",{"v":30,"d":"30.00"},32.75,{"v":100,"d":"100.00"},109.17,"http://selleckchem.com/products/lcz696.html","C24H29N5O3.C24H29NO5.5/2H2O.3Na","Sodium salt hydrate","Sacubitril, Valsartan","[Na+].[Na+].[Na+].CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[NH]3)C(C(C)C)C(O)=O.CCOC(=O)C(C)CC(CC4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)CCC(O)=O",8.591,9,2,22]
["S7754","Gilteritinib (ASP2215)","d11","L8100-03","in 10mM DMSO","Axl,FLT3","Protein Tyrosine Kinase","Gilteritinib (ASP2215) is a small-molecule FLT3/AXL inhibitor with IC50 values of 0.29 nM and 0.73 nM for FLT3 and AXL, respectively. It inhibits FLT3 at an IC50 value that was approximately 800-fold more potent than the concentration required to inhibit c-KIT (230 nM).",552.71,"1254053-43-4",{"v":100,"d":"100.00"},180.93,"<1","N/A","http://selleckchem.com/products/gilteritinib-asp2215.html","C29H44N8O3","free base","N/A","CCC1=NC(=C(NC2=CC=C(N3CCC(CC3)N4CCN(C)CC4)C(=C2)OC)N=C1NC5CCOCC5)C(N)=O",2.401,5,3,9]
["S7766","Cabotegravir (GSK1265744)","e11","L8100-03","in 10mM DMSO","Integrase","Microbiology","Cabotegravir (GSK744, GSK1265744, S/GSK1265744) is a long-acting HIV integrase inhibitor against a broad range of HIV subtypes, and inhibits the HIV-1 integrase catalyzed strand transfer reaction with IC50 of 3.0 nM. Phase 2.",405.35,"1051375-10-0",{"v":38,"d":"38.00"},93.75,"<1","N/A","http://selleckchem.com/products/cabotegravir-gsk744-gsk1265744.html","C19H17F2N3O5","free base","GSK744, S/GSK1265744","CC1COC2CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(=C3C(=O)N12)O",0.237,4,2,3]
["S7769","BP-1-102","f11","L8100-03","in 10mM DMSO","STAT","JAK/STAT","BP-1-102 is a potent, orally bioavailable and selective STAT3 inhibitor, binds Stat3 with an affinity Kd of 504 nM and blocks Stat3-phospho-tyrosine (pTyr) peptide interactions and Stat3 activation at 4-6.8 μM.",626.59,"1334493-07-0",{"v":100,"d":"100.00"},159.59,"<1","N/A","http://selleckchem.com/products/bp-1-102.html","C29H27F5N2O6S","free base","N/A","CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(O)=O)O)[S](=O)(=O)C4=C(F)C(=C(F)C(=C4F)F)F",5.979,4,1,9]
["S7783","Combretastatin A4","g11","L8100-03","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Combretastatin A4 is a microtubule-targeting agent that binds β-tubulin with Kd of 0.4 μM.Phase 3.",316.35,"117048-59-6",{"v":63,"d":"63.00"},199.15,"<1","N/A","http://selleckchem.com/products/combretastatin-a4.html","C18H20O5","free base","N/A","COC1=C(O)C=C(\\C=C/C2=CC(=C(OC)C(=C2)OC)OC)C=C1",3.508,4,1,6]
["S7786","Erlotinib (OSI-774)","h11","L8100-03","in 10mM DMSO","Autophagy,EGFR","Protein Tyrosine Kinase","Erlotinib (OSI-774, CP358774, NSC 718781, Tarceva) is an EGFR inhibitor with IC50 of 2 nM, >1000-fold more sensitive for EGFR than human c-Src or v-Abl. Erlotinib induces autophagy.",393.44,"183321-74-6",{"v":78,"d":"78.00"},198.25,"<1","N/A","http://selleckchem.com/products/erlotinib.html","C22H23N3O4","free base","CP358774, NSC 718781, Tarceva","COCCOC1=C(OCCOC)C=C2C(=NC=NC2=C1)NC3=CC=CC(=C3)C#C",4.309,6,1,10]
["S7787","Docetaxel Trihydrate","a2","L8100-04","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Docetaxel (RP56976, NSC 628503), an analog of paclitaxel, is an inhibitor of depolymerisation of microtubules by binding to stabilized microtubules.",861.93,"148408-66-6",{"v":100,"d":"100.00"},116.02,"<1","N/A","http://selleckchem.com/products/docetaxel-trihydrate.html","C43H53NO14.3H2O","Trihydrate","RP56976 (NSC 628503) Trihydrate","O.O.O.CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)C4=CC=CC=C4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C6=CC=CC=C6)C(=C(C(O)C3=O)C5(C)C)C",1.964,10,4,13]
["S7815","MI-136","b2","L8100-04","in 10mM DMSO","Histone Methyltransferase,MLL","Epigenetics","MI-136  can specifically inhibit the menin-MLL interaction. It inhibits DHT-induced expression of androgen receptor (AR) target genes.",470.51,"1628316-74-4",{"v":94,"d":"94.00"},199.78,"<1","N/A","http://selleckchem.com/products/mi-136.html","C23H21F3N6S","free base","N/A","FC(F)(F)CC1=CC2=C(NC3CCN(CC3)CC4=CC=C5[NH]C(=CC5=C4)C#N)N=CN=C2S1",4.886,2,2,6]
["S7816","MI-463","c2","L8100-04","in 10mM DMSO","Histone Methyltransferase,MLL","Epigenetics","MI-463 is a potent inhibitor of Menin-MLL interaction with an IC50 value of 15.3 nM.",484.54,"1628317-18-9",{"v":96,"d":"96.00"},198.13,"<1","N/A","http://selleckchem.com/products/mi-463.html","C24H23F3N6S","free base","N/A","CC1=C2C=C([NH]C2=CC=C1CN3CCC(CC3)NC4=C5C=C(CC(F)(F)F)SC5=NC=N4)C#N",5.372,2,2,6]
["S7833","OICR-9429","d2","L8100-04","in 10mM DMSO","Histone Methyltransferase,WDR5","Epigenetics","OICR-9429 is a potent antagonist of the interaction of WDR5 with peptide regions of MLL and Histone 3 and reduces viability of acute myeloid leukemia cells in vitro. It binds to WDR5 with high affinity (KD = 93 ± 28 nM.",555.59,"1801787-56-3",{"v":38,"d":"38.00"},{"v":68.4,"d":"68.40"},"<1","N/A","http://selleckchem.com/products/oicr-9429.html","C29H32F3N5O3","free base","N/A","CN1CCN(CC1)C2=CC=C(C=C2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)C4=CC(=CC=C4)CN5CCOCC5",2.722,3,2,7]
["S7854","Ulixertinib (BVD-523)","e2","L8100-04","in 10mM DMSO","ERK","MAPK","Ulixertinib (BVD-523, VRT752271) is a potent and reversible ERK1/ERK2 inhibitor with IC50 of <0.3 nM for ERK2. Phase 1.",433.33,"869886-67-9",{"v":86,"d":"86.00"},198.46,"<1","N/A","http://selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html","C21H22Cl2N4O2","free base","VRT752271","CC(C)NC1=NC=C(Cl)C(=C1)C2=C[NH]C(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl",4.266,2,4,7]
["S7875","NVP-CGM097","f2","L8100-04","in 10mM DMSO","MDM2/MDMX","Apoptosis","NVP-CGM097 is a highly potent and selective MDM2 inhibitor with Ki value of 1.3 nM for hMDM2 in TR-FRET assay. It binds to the p53 binding-site of the Mdm2 protein, disrupting the interaction between both proteins, leading to an activation of the p53 pathway.",659.26,"1313363-54-0",{"v":65,"d":"65.00"},{"v":98.6,"d":"98.60"},"<1","N/A","http://selleckchem.com/products/nvp-cgm097.html","C38H47ClN4O4","free base","CGM-097","COC1=CC2=C(C=C1OC(C)C)C(N(C(=O)C2)C3=CC=C(C=C3)N(C)CC4CCC(CC4)N5CCN(C)C(=O)C5)C6=CC=C(Cl)C=C6",6.455,4,0,9]
["S7911","BMS-1 (PD-1/PD-L1 inhibitor 1)","g2","L8100-04","in 10mM DMSO","PD-1/PD-L1","Immunology & Inflammation","BMS-1 (PD-1/PD-L1 inhibitor 1, PD1-PDL1-IN1) is a small-molecule inhibitor of PD-1/PD-L1 interaction with IC50 of 6 nM.",475.58,"1675201-83-8",{"v":95,"d":"95.00"},199.76,{"v":95,"d":"95.00"},199.76,"http://selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html","C29H33NO5","free base","PD1-PDL1-IN1","COC1=CC(=CC(=C1CN2CCCCC2C(O)=O)OC)OCC3=C(C)C(=CC=C3)C4=CC=CC=C4",2.941,4,0,9]
["S7912","BMS202 (PD-1/PD-L1 inhibitor 2)","h2","L8100-04","in 10mM DMSO","PD-1/PD-L1","Immunology & Inflammation","BMS202 (PD-1/PD-L1 inhibitor 2) is a small-molecule PD-1/PD-L1 interaction inhibitor with IC50 of 18 nM.",419.52,"1675203-84-5",{"v":83,"d":"83.00"},197.85,"<1","N/A","http://selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html","C25H29N3O3","free base","N/A","COC1=C(CNCCNC(C)=O)C=CC(=N1)OCC2=C(C)C(=CC=C2)C3=CC=CC=C3",4.043,4,2,10]
["S7913","MCB-613","a3","L8100-04","in 10mM DMSO","ROS","ER stress & UPR","MCB-613 is a potent steroid receptor coactivator (SRC) stimulator.",304.39,"1162656-22-5",{"v":60,"d":"60.00"},197.12,"<1","N/A","http://selleckchem.com/products/mcb-613.html","C20H20N2O","free base","N/A","CCC1C\\C(=C/C2=CC=CN=C2)C(=O)C(/C1)=C/C3=CN=CC=C3",3.544,3,0,3]
["S7934","SR9243","b3","L8100-04","in 10mM DMSO","Liver X Receptor","Metabolism","SR9243 is a potent and selective LXR inverse agonist.",626.62,"1613028-81-1",{"v":33,"d":"33.00"},52.66,"<1","N/A","http://www.selleck.cn/products/sr9243.html","C31H32BrNO4S2","Free Base","N/A","CC1=CC(=C(C(=C1)C)[S](=O)(=O)N(CCC2=CC=CC(=C2)Br)CC3=CC=C(C=C3)C4=CC(=CC=C4)[S](C)(=O)=O)C",7.686,4,0,9]
["S7940","NSC12","c3","L8100-04","in 10mM DMSO","FGFR","Angiogenesis","NSC12 (NSC 172285) is an orally available pan-FGF trap able to inhibit FGF2/FGFR interaction and endowed with promising antitumor activity.",484.52,"102586-30-1",{"v":96,"d":"96.00"},198.13,"<1","N/A","http://selleckchem.com/products/nsc12.html","C24H34F6O3","free base","NSC 172285","CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)CC(O)(C(F)(F)F)C(F)(F)F",4.884,0,2,5]
["S8041","Cobimetinib (GDC-0973)","d3","L8100-04","in 10mM DMSO","Apoptosis related,MEK","MAPK","Cobimetinib (GDC-0973, RG7420) is a potent and highly selective MEK1 inhibitor with IC50 of 4.2 nM, showing more than 100-fold selectively for MEK1 over MEK2 and showed no significant inhibition when tested against a panel of more than 100 of serine-threonine and tyrosine kinases. Cobimetinib induces apoptosis. Phase 3.",531.31,"934660-93-2",{"v":100,"d":"100.00"},188.21,"<1","N/A","http://selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html","C21H21F3IN3O2","free base","RG7420,XL518","OC1(CN(C1)C(=O)C2=C(NC3=CC=C(I)C=C3F)C(=C(F)C=C2)F)C4CCCCN4",3.701,1,2,4]
["S8048","Venetoclax (ABT-199)","e3","L8100-04","in 10mM DMSO","Autophagy,Bcl-2","Apoptosis","Venetoclax (ABT-199, GDC-0199) is a Bcl-2-selective inhibitor with Ki of <0.01 nM in cell-free assays, >4800-fold more selective versus Bcl-xL and Bcl-w, and no activity to Mcl-1. Venetoclax is reported to induce cell growth suppression, apoptosis, cell cycle arrest, and autophagy in triple negative breast cancer MDA-MB-231 cells. Phase 3.",868.44,"1257044-40-8",{"v":100,"d":"100.00"},115.15,"<1","N/A","http://selleckchem.com/products/abt-199.html","C45H50ClN7O7S","free base","GDC-0199","CC1(C)CCC(=C(C1)C2=CC=C(Cl)C=C2)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)N[S](=O)(=O)C5=CC=C(NCC6CCOCC6)C(=C5)[N+]([O-])=O)OC7=CN=C8[NH]C=CC8=C7",{"v":7.94,"d":"7.940"},6,3,13]
["S8065","Nutlin-3b","f3","L8100-04","in 10mM DMSO","MDM2/MDMX","Apoptosis","Nutlin-3b ((+)-Nutlin-3) is a p53/MDM2 antagonist or inhibitor with IC50 value of 13.6 μM, 150-fold less potent (+)-enantiomer of Nutlin-3 as in comparison with opposite (-)-enantiomer Nutlin-3a.",581.49,"675576-97-3",{"v":100,"d":"100.00"},171.97,"<1","N/A","http://selleckchem.com/products/nutlin-3b.html","C30H30Cl2N4O4","free base","(+)-Nutlin-3","COC1=CC=C(C(=C1)OC(C)C)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5",5.434,5,1,6]
["S8067","Vorapaxar (MK-5348)","g3","L8100-04","in 10mM DMSO","PAR","GPCR & G Protein","Vorapaxar (SCH 530348, MK-5348) is a potent and orally active thrombin receptor (PAR-1) antagonist with Ki of 8.1 nM.",492.58,"618385-01-6",{"v":99,"d":"99.00"},200.98,"<1","N/A","http://selleckchem.com/products/vorapaxar.html","C29H33FN2O4","free base","SCH 530348","CCOC(=O)NC1CCC2C(C1)CC3C(C(C)OC3=O)C2\\C=C\\C4=CC=C(C=N4)C5=CC=CC(=C5)F",5.261,5,1,6]
["S8072","NSC 405020","h3","L8100-04","in 10mM DMSO","MMP","Proteases","NSC 405020 is a noncatalytic inhibitor of MT1-MMP, directly interacts with PEX domain of MT1-MMP, affects PEX homodimerization but not catalytic activity of MT1-MMP.",260.16,"7497-07-6",{"v":52,"d":"52.00"},199.88,"<1","N/A","http://selleckchem.com/products/nsc-405020.html","C12H15Cl2NO","free base","N/A","CCCC(C)NC(=O)C1=CC=C(Cl)C(=C1)Cl",4.073,1,1,4]
["S8078","Bardoxolone Methyl","a4","L8100-04","in 10mM DMSO","Apoptosis related,Autophagy,Ferroptosis,IκB/IKK,NF-κB,Nrf2","NF-κB","Bardoxolone Methyl (RTA 402, TP-155, NSC 713200, CDDO Methyl Ester, CDDO-Me) is an IKK inhibitor, showing potent proapoptotic and anti-inflammatory activities; Also a potent Nrf2 activator and nuclear factor-κB (NF-κB) inhibitor. Bardoxolone Methyl abrogates ferroptosis. Bardoxolone methyl induces apoptosis and autophagy in cancer cells.",505.69,"218600-53-4",{"v":21,"d":"21.00"},41.53,"<1","N/A","http://selleckchem.com/products/bardoxolone-methyl.html","C32H43NO4","free base","RTA 402, TP-155, NSC 713200, CDDO Methyl Ester, CDDO-Me","COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2",5.798,4,0,2]
["S8169","GSK481","b4","L8100-04","in 10mM DMSO","RIP kinase","Apoptosis","GSK481 is a RIP1(Receptor Interacting Protein Kinase1, RIPK1) inhibitor. Inhibition of RIP1 has been shown to hinder cell necrotic death.",377.39,"1622849-58-4",{"v":75,"d":"75.00"},198.73,"<1","N/A","http://selleckchem.com/products/gsk481.html","C21H19N3O4","free base","N/A","CN1C(=O)C(COC2=CC=CC=C12)NC(=O)C3=NOC(=C3)CC4=CC=CC=C4",2.545,5,1,4]
["S8177","BH3I-1","c4","L8100-04","in 10mM DMSO","Bcl-2","Apoptosis","BH3I-1 is a Bcl-XL-BH3 domain interaction inhibitor with Ki of 2.4 μM (by fluorescence polarization ).It is a selective inhibitor of Bcl-2 family proteins.",400.31,"300817-68-9",{"v":64,"d":"64.00"},159.88,"<1","N/A","http://selleckchem.com/products/bh3i-1.html","C15H14BrNO3S2","free base","N/A","CC(C)C(N1C(=S)S\\C(=C/C2=CC=C(Br)C=C2)C1=O)C(O)=O",4.604,2,0,4]
["S8201","BI-78D3","d4","L8100-04","in 10mM DMSO","JNK","MAPK","BI-78D3 is a competitive JNK inhibitor with IC50 of 280 nM that displays > 100 fold selectivity over p38α and no activity at mTOR and PI-3K.",379.37,"883065-90-5",{"v":100,"d":"100.00"},263.59,"<1","N/A","http://selleckchem.com/products/bi-78d3.html","C13H9N5O5S2","free base","N/A","OC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)[N]1C3=CC=C4OCCOC4=C3",2.738,5,1,4]
["S8206","Ivosidenib (AG-120)","e4","L8100-04","in 10mM DMSO","Dehydrogenase","Metabolism","Ivosidenib (AG-120) is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1), with potential antineoplastic activity.",582.96,"1448347-49-6",{"v":100,"d":"100.00"},171.54,"<1","N/A","http://selleckchem.com/products/ag-120-Ivosidenib.html","C28H22ClF3N6O3","free base","N/A","FC1=CN=CC(=C1)N(C(C(=O)NC2CC(F)(F)C2)C3=C(Cl)C=CC=C3)C(=O)C4CCC(=O)N4C5=NC=CC(=C5)C#N",3.004,5,1,7]
["S8240","SMER28","f4","L8100-04","in 10mM DMSO","Autophagy","Autophagy","SMER28 is a small-molecule enhancer (SMER) of autophagy, inducing autophagy independently of rapamycin in mammalian cells.",264.12,"307538-42-7",{"v":52,"d":"52.00"},196.88,"<1","N/A","http://selleckchem.com/products/smer28.html","C11H10BrN3","free base","N/A","BrC1=CC=C2N=CN=C(NCC=C)C2=C1",3.101,2,1,3]
["S8248","IQ-1","g4","L8100-04","in 10mM DMSO","PP2A,Wnt/beta-catenin","Stem Cells & Wnt","IQ-1 enables Wnt/β-catenin-driven expansion of mouse ESCs and prevents spontaneous differentiation, Maintains embryonic stem cell (ESC) pluripotency in Wnt3a-treated cells and prevents PP2A/Nkd interaction.",362.42,"331001-62-8",{"v":72,"d":"72.00"},198.66,"<1","N/A","http://selleckchem.com/products/iq-1.html","C21H22N4O2","free base","N/A","CC(=O)C1=CC=C(C=C1)N=N\\C(C(N)=O)=C2\\NC(C)(C)CC3=C2C=CC=C3",3.005,4,2,4]
["S8251","Necrosulfonamide","h4","L8100-04","in 10mM DMSO","Mixed Lineage Kinase","MAPK","Necrosulfonamide is a very specific and potent necrosis inhibitor and blocks mixed lineage kinase domain-like protein (MLKL).",461.47,"1360614-48-7",{"v":92,"d":"92.00"},199.36,"<1","N/A","http://selleckchem.com/products/necrosulfonamide.html","C18H15N5O6S2","free base","N/A","COC1=C(N[S](=O)(=O)C2=CC=C(NC(=O)\\C=C\\C3=CC=C(S3)[N+]([O-])=O)C=C2)N=CC=N1",2.303,6,2,8]
["S8275","Tomivosertib (eFT-508)","a5","L8100-04","in 10mM DMSO","eIF,MNK,PD-1/PD-L1","MAPK","Tomivosertib (eFT-508) is a potent and selective MNK1/2 inhibitor with IC50s of 2.4 nM and 1 nM, respectively. It potentially results in decreased tumor cell proliferation and tumor growth. Tomivosertib (eFT-508) inhibits eIF4E phosphorylation and dramatically downregulates PD-L1 protein abundance.",340.38,"1849590-01-7",{"v":13,"d":"13.00"},38.19,"<1","N/A","http://selleckchem.com/products/eft-508.html","C17H20N6O2","free base","N/A","CC1=C2N(C(=O)C(=C1)NC3=NC=NC(=C3)N)C4(CCCCC4)NC2=O",0.717,4,3,2]
["S8303","Kobe0065","b5","L8100-04","in 10mM DMSO","Ras","Cell Cycle","Kobe0065 is an H-Ras-cRaf1 interaction inhibitor, exhibiting potent activity to competitively inhibit the binding of H-Ras·GTP to c-Raf-1 RBD with a Ki value of 46 ± 13 μM.",449.79,"436133-68-5",{"v":89,"d":"89.00"},197.87,"<1","N/A","http://selleckchem.com/products/kobe0065.html","C15H11ClF3N5O4S","free base","N/A","CC1=C(Cl)C=C(NC(=S)NNC2=C(C=C(C=C2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)C=C1",5.921,0,3,8]
["S8312","NSC228155","c5","L8100-04","in 10mM DMSO","EGFR","Angiogenesis","NSC228155 is an activator of EGFR. It binds to the sEGFR dimerization domain II and modulates EGFR tyrosine phosphorylation.",290.25,"113104-25-9",{"v":15,"d":"15.00"},51.68,"<1","N/A","http://selleckchem.com/products/nsc228155.html","C11H6N4O4S","free base","N/A","[O-][N+](=O)C1=CC=C(SC2=CC=CC=[N+]2[O-])C3=NON=C13",1.957,3,0,3]
["S8318","Alantolactone","d5","L8100-04","in 10mM DMSO","TGF-beta/Smad","TGF-beta/Smad","Alantolactone (helenin, helenine, Eupatal), a naturally occurring eudesmane-type sesquiterpene lactone (SL), could induce activin/SMAD3 signaling and disrupt Cripto-1/activin receptor type II A interaction.",232.32,"546-43-0",{"v":46,"d":"46.00"},{"v":198,"d":"198.00"},"<1","N/A","http://selleckchem.com/products/alantolactone.html","C15H20O2","free base","helenin, helenine, Eupatal","CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12",3.311,2,0,0]
["S8320","SKL2001","e5","L8100-04","in 10mM DMSO","Wnt/beta-catenin","Stem Cells & Wnt","SKL2001 is a novel agonist of the Wnt/β-catenin pathway. It disrupts the Axin/β-catenin interaction.",286.29,"909089-13-0",{"v":57,"d":"57.00"},{"v":199.1,"d":"199.10"},"<1","N/A","http://selleckchem.com/products/skl2001.html","C14H14N4O3","free base","N/A","O=C(NCCC[N]1C=CN=C1)C2=NOC(=C2)C3=CC=CO3",0.929,5,1,6]
["S8359","UNC3866","f5","L8100-04","in 10mM DMSO","Histone Methyltransferase","Epigenetics","UNC3866 is a potent antagonist of the methyllysine (Kme) reading function of the Polycomb CBX and CDY families of chromodomains. UNC3866 binds the chromodomains of CBX4 and CBX7 most potently, with a K(d) of ∼100 nM for each, and is 6- to 18-fold selective as compared to seven other CBX and CDY chromodomains.",795.02,"1872382-47-2",{"v":100,"d":"100.00"},125.78,"<1","N/A","http://selleckchem.com/products/unc3866.html","C43H66N6O8","free base","N/A","CCN(CC)CCCCC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)NC(CO)C(=O)OC",4.291,7,6,25]
["S8409","KG-501 (2-naphthol-AS-E-phosphate)","g5","L8100-04","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","KG-501 (2-naphthol-AS-E-phosphate) is a cAMP response element-binding protein (CREB) inhibitor that disrupts CREB-dependent transcription (Ki = 10 μM) and CREB:CBP interaction (Ki = 50 μM). It also disrupts phospho (Ser-133) CREB binding to KIX with a Ki of ≈90 μM, using concentrations of CREB that were within the linear range of the binding assay.",377.72,"18228-17-6",{"v":20,"d":"20.00"},52.95,"<1","N/A","http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html","C17H13ClNO5P","Free Base","N/A","O[P](O)(=O)OC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(Cl)C=C3",3.691,2,1,4]
["S8426","10074-G5","h5","L8100-04","in 10mM DMSO","Myc","Cell Cycle","10074-G5 is a c-Myc inhibitor that binds to and distorts the bHLH-ZIP domain of c-Myc (Kd = 2.8 µM), thereby inhibiting c-Myc/Max heterodimer formation and inhibiting its transcriptional activity (IC50 = 146 µM).",332.31,"413611-93-5",{"v":60,"d":"60.00"},180.55,"<1","N/A","http://selleckchem.com/products/10074-g5.html","C18H12N4O3","free base","N/A","[O-][N+](=O)C1=CC=C(NC2=C(C=CC=C2)C3=CC=CC=C3)C4=NON=C14",4.362,3,1,4]
["S8429","PNU-74654","a6","L8100-04","in 10mM DMSO","Wnt/beta-catenin","Stem Cells & Wnt","PNU-75654 disrupts the Wnt signaling pathway via inhibition of the interaction (KD50=450 nM) between β-catenin and Tcf4.",320.34,"113906-27-7",{"v":64,"d":"64.00"},199.79,"<1","N/A","http://selleckchem.com/products/pnu-74654.html","C19H16N2O3","free base","N/A","CC1=CC=C(O1)/C=N/NC(=O)C2=CC=CC=C2OC3=CC=CC=C3",3.784,4,1,5]
["S8474","LF3","b6","L8100-04","in 10mM DMSO","Wnt/beta-catenin","Stem Cells & Wnt","LF3 is a specific inhibitor of canonical Wnt signaling by disrupting the interaction between β-catenin and TCF4 with an IC50 less than 2 μM.",416.56,"664969-54-4",{"v":83,"d":"83.00"},199.25,"<1","N/A","http://selleckchem.com/products/lf3.html","C20H24N4O2S2","free base","N/A","N[S](=O)(=O)C1=CC=C(NC(=S)N2CCN(CC2)C\\C=C\\C3=CC=CC=C3)C=C1",3.762,2,2,7]
["S8496","EED226","c6","L8100-04","in 10mM DMSO","Epigenetic Reader Domain,Histone Methyltransferase","Epigenetics","EED226 is a potent, selective, and orally bioavailable a novel allosteric Polycomb repressive complex 2 (PRC2) inhibitor with an IC50 of 23.4 nM when the H3K27me0 peptide was used as substrate and an IC50 of 53.5 nM when the mononucleosome was used as the substrate. It directly binds to the H3K27me3 binding pocket of EED.",{"v":369.4,"d":"369.40"},"2083627-02-3",{"v":73,"d":"73.00"},197.62,"<1","N/A","http://selleckchem.com/products/eed226.html","C17H15N5O3S","free base","N/A","C[S](=O)(=O)C1=CC=C(C=C1)C2=CN=C(NCC3=CC=CO3)[N]4C=NN=C24",2.136,6,1,5]
["S8528","SR-18292","d6","L8100-04","in 10mM DMSO","PGC-1α","Metabolism","SR-18292 inhibits PGC-1α gluconeogenic activity and reduces co-activation of HNF4α by modulating the interaction between GCN5 and PGC-1α.",{"v":366.5,"d":"366.50"},"2095432-55-4",{"v":73,"d":"73.00"},199.18,"<1","N/A","http://selleckchem.com/products/sr-18292.html","C23H30N2O2","free base","N/A","CC1=CC=C(CN(CC(O)COC2=CC=CC3=C2C=C[NH]3)C(C)(C)C)C=C1",4.736,1,2,8]
["S8559","INF39","e6","L8100-04","in 10mM DMSO","NLRP3","Immunology & Inflammation","INF39 is a nontoxic, irreversible NLRP3 inhibitor that counteracts NLRP3 activation through direct irreversible interaction with NLRP3 and partial inhibition of LPS-driven pro-inflammatory gene expression.",224.68,"866028-26-4","The physical form of the compound is liquid, which can be dissolved in any proportion.","N/A","N/A","N/A","http://selleckchem.com/products/inf39.html","C12H13ClO2","free base","N/A","CCOC(=O)C(=C)CC1=C(Cl)C=CC=C1",3.666,2,0,5]
["S8594","Tirofiban Hydrochloride","f6","L8100-04","in 10mM DMSO","Integrin","Cytoskeletal Signaling","Tirofiban Hydrochloride (MK-383) is the hydrochloride salt form of tirofiban, a selective platelet GPIIb/IIIa antagonist which inhibits platelet aggregation. It is more soluable than Tirofiban.",495.07,"150915-40-5",{"v":95,"d":"95.00"},191.89,{"v":95,"d":"95.00"},191.89,"http://selleckchem.com/products/tirofiban-hydrochlorid.html","C22H36N2O5S.HCl.H2O","hydrochloride hydrate","MK-383 Hydrochloride","O.Cl.CCCC[S](=O)(=O)NC(CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O",0.922,4,2,14]
["S8714","INCB057643","g6","L8100-04","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","INCB057643 is a BET inhibitor that binds to the acetylated lysine recognition motifs found in the BRD of BET proteins, thereby preventing the interaction between the BET proteins and acetylated lysines on histones.",415.46,"1820889-23-3",{"v":83,"d":"83.00"},199.78,"<1","N/A","http://www.selleckchem.com/products/incb057643.html","C20H21N3O5S","Free Base","N/A","CN1C=C(C2=C([NH]C=C2)C1=O)C3=CC(=CC4=C3OC(C)(C)C(=O)N4C)[S](C)(=O)=O",1.114,5,1,2]
["S8739","PLX51107","h6","L8100-04","in 10mM DMSO","Epigenetic Reader Domain","Epigenetics","PLX51107 is as a novel BET inhibitor with modest preference for bromodomain-1 (BD1) versus bromodomain-2 (BD2) within each BET protein (Kd = 1.6, 2.1, 1.7, and 5 nM for BD1 and 5.9, 6.2, 6.1 and 120 nM for BD2 of BRD2, BRD3, BRD4, and BRDT, respectively. Among non-BET proteins, PLX51107 shows significant interactions only with the bromodomains of CBP and EP300 (p300) (Kd in the 100 nM range).",438.48,"1627929-55-8",{"v":88,"d":"88.00"},200.69,"<1","N/A","http://www.selleck.cn/products/plx51107.html","C26H22N4O3","Free Base","N/A","CC([N]1C=C(C2=CC=C(C=C2)C(O)=O)C3=NC=C(C=C13)C4=C(C)ON=C4C)C5=CC=CC=N5",4.288,5,0,5]
["S8775","HS-1371","a7","L8100-04","in 10mM DMSO","RIP kinase","Apoptosis","HS-1371 is a potent RIP3 kinase inhibitor with an IC50 of 20.8 nM. It binds to the ATP binding pocket of RIP3 and inhibits ATP binding to prevent RIP3 enzymatic activity in vitro.",384.47,"2158197-70-5",{"v":13,"d":"13.00"},33.81,"<1","N/A","http://www.selleckchem.com/products/hs-1371.html","C24H24N4O","Free Base","N/A","CC1=CC=C(OC2=CC=NC3=CC(=CC=C23)C4=C[N](N=C4)C5CCNCC5)C=C1",3.805,3,1,4]
["S8787","GSK'547","b7","L8100-04","in 10mM DMSO","RIP kinase","Apoptosis","GSK'547 is a highly selective and potent inhibitor of RIP1 (RIPK1) exhibiting a 400-fold improvement in mouse pharmacokinetic oral exposure compared with GSK'963",396.39,"2226735-55-1",{"v":29,"d":"29.00"},73.16,"<1","N/A","http://www.selleck.cn/products/gsk547.html","C20H18F2N6O","free base","N/A","FC1=CC(=CC(=C1)F)C2CC=NN2C(=O)C3CCN(CC3)C4=NC=NC(=C4)C#N",2.776,4,0,3]
["S8789","SSE15206","c7","L8100-04","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","SSE15206 is a tubulin polymerization inhibitor that has potent antiproliferative activities in cancer cell lines of different origins and overcomes resistance to microtubule-targeting agents.",371.45,"1370046-40-4",{"v":74,"d":"74.00"},199.22,"<1","N/A","http://www.selleckchem.com/products/sse15206.html","C19H21N3O3S","Free Base","N/A","COC1=C(OC)C(=CC(=C1)C2CC(=NN2C(N)=S)C3=CC=CC=C3)OC",3.483,4,1,6]
["S8826","BAY-293","d7","L8100-04","in 10mM DMSO","Ras","Cell Cycle","BAY-293 selectively inhibits the KRAS-SOS1 interaction with an IC50 of 21 nM.",448.58,"2244904-70-7",{"v":90,"d":"90.00"},200.63,"<1","N/A","http://www.selleck.cn/products/bay-293.html","C25H28N4O2S","free base","N/A","CNCC1=C(C=CC=C1)C2=CSC(=C2)C(C)NC3=NC(=NC4=CC(=C(OC)C=C34)OC)C",4.522,4,2,8]
["S8859","BMS-1166","e7","L8100-04","in 10mM DMSO","PD-1/PD-L1","Immunology & Inflammation","BMS-1166 is a novel and potent small molecule inhibitor of the PD-1/PD-L1 interaction with an IC50 of 1.4 nM.",641.11,"1818314-88-3",{"v":100,"d":"100.00"},155.98,"<1","N/A","http://www.selleck.cn/products/bms-1166.html","C36H33ClN2O7","free base","N/A","CC1=C(C=CC=C1COC2=CC(=C(CN3CC(O)CC3C(O)=O)C=C2Cl)OCC4=CC(=CC=C4)C#N)C5=CC6=C(OCCO6)C=C5",3.323,5,1,10]
["S8864","ZT-12-037-01","f7","L8100-04","in 10mM DMSO","Serine/threonin kinase","Apoptosis","ZT-12-037-01 is a specific and ATP-competitive STK19 inhibitor with IC50s of 23.96 nM and 27.94 nM for STK19 (WT) and STK19 (D89N), respectively. It displays extremely high kinase selectivity using KINOMEscan against a panel of 468 diverse kinases using an in vitro ATP-site competition binding assay at 1 μM.",{"v":385.5,"d":"385.50"},"2328073-61-4",{"v":41,"d":"41.00"},106.36,"<1","N/A","http://www.selleck.cn/products/zt-12-037-01.html","C21H31N5O2","free base","N/A","COC1=CC2=NC(=NC(=C2C=C1OC)NC3CCN(CC3)C(C)C)NC4CC4",3.359,4,2,7]
["S9020","Dihydrotanshinone I","g7","L8100-04","in 10mM DMSO","Others","Others","Dihydrotanshinone I (15,16-dihydrotanshinone I) is a naturally occurring compound extracted from Salvia miltiorrhiza Bunge, also known as Chinese sage, red sage root, and the Chinese herbal Dan Shen. It is a potent inhibitor of the HuR:RNA interaction, active in the low nanomolar range, mainly by limiting the association rate of HuR with RNA.",{"v":278.3,"d":"278.30"},"87205-99-0",{"v":10,"d":"10.00"},35.93,"N/A","N/A","https://www.selleckchem.com/products/dihydrotanshinone-i.html","C18H14O3","free base","15,16-dihydrotanshinone I","CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C",3.184,3,0,0]
["S9055","Salvianolic acid A","h7","L8100-04","in 10mM DMSO","Immunology & Inflammation related","Immunology & Inflammation","Salvianolic acid A (Dan Phenolic Acid A), a water-soluble compound extracted from Radix Salvia miltiorrhiza (Danshen), is an antioxidant and free radical scavenging compound that also acts as an inhibitor of the protein-protein interaction mediated by SH2 domains of Src-family kinases Src and Lck.",494.45,"96574-01-5",{"v":10,"d":"10.00"},20.22,"N/A","N/A","https://www.selleckchem.com/products/salvianolic-acid-a.html","C26H22O10","free base","Dan Phenolic Acid A","OC(=O)C(CC1=CC(=C(O)C=C1)O)OC(=O)\\C=C\\C2=C(/C=C/C3=CC(=C(O)C=C3)O)C(=C(O)C=C2)O",4.209,3,6,9]
["S9084","Rhoifolin","a8","L8100-04","in 10mM DMSO","Anti-infection,Immunology & Inflammation related","Immunology & Inflammation","Rhoifolin (Rhoifoloside, Apigenin 7-O-neohesperidoside, Apigenin-7-O-rhamnoglucoside), a natural glycoside of apigenin, has been obtained from the green leaves of Rhus succedanea and possesses a variety of significant biological activities including antioxidant, anti-inflammatory, antimicrobial, hepatoprotective and anticancer effects.",578.52,"17306-46-6",{"v":10,"d":"10.00"},17.29,"N/A","N/A","https://www.selleckchem.com/products/rhoifolin.html","C27H30O14","free base","Rhoifoloside, Apigenin 7-O-neohesperidoside, Apigenin-7-O-rhamnoglucoside","CC1OC(OC2C(O)C(O)C(CO)OC2OC3=CC4=C(C(=C3)O)C(=O)C=C(O4)C5=CC=C(O)C=C5)C(O)C(O)C1O",-0.378,6,8,6]
["S9100","Fraxinellone","b8","L8100-04","in 10mM DMSO","Immunology & Inflammation related","Immunology & Inflammation","Fraxinellone is a natural product isolated from the D. dasycarpus plant, which has been shown to exhibit neuroprotective and anti-inflammatory activities.",232.27,"28808-62-0",{"v":46,"d":"46.00"},198.04,"N/A","N/A","https://www.selleckchem.com/products/fraxinellone.html","C14H16O3","free base","N/A","CC1=C2C(=O)OC(C3=COC=C3)C2(C)CCC1",2.995,3,0,1]
["S9142","Sparteine","c8","L8100-04","in 10mM DMSO","Sodium Channel","Transmembrane Transporters","Sparteine, which could be extracted from scotch broom, is a sodium channel blocker and a class 1a antiarrhythmic agent.",234.38,"492-08-0","N/A","The physical form of the compound is liquid, which can be dissolved in any proportion.","N/A","N/A","https://www.selleckchem.com/products/sparteine.html","C15H26N2","free base","N/A","C1CCN2CC3CC(CN4CCCCC34)C2C1",2.363,0,0,0]
["S9265","7-Epitaxol","d8","L8100-04","in 10mM DMSO","Others","Others","7-Epitaxol (7-Epipaclitaxel) is the major derivative of taxol found in cells. Taxol (paclitaxel) is a well-known natural-source cancer drug.",853.91,"105454-04-4",{"v":100,"d":"100.00"},117.11,"N/A","N/A","https://www.selleckchem.com/products/7-epitaxol.html","C47H51NO14","free base/salt","7-Epipaclitaxel","CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)C4=CC=CC=C4)C5(O)CC(OC(=O)C(O)C(NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=C1C5(C)C)C",3.055,11,3,14]
["S9315","Praeruptorin A","e8","L8100-04","in 10mM DMSO","Akt,Calcium Channel,p38 MAPK","PI3K/Akt/mTOR","Praeruptorin A, a naturally existing pyranocumarin, is isolated from the dried root of Peucedanum praeruptorum Dunn. Praeruptorin A inhibits p38/Akt-c-Fos-NFATc1 signaling and PLCγ-independent Ca2+ oscillation. Praeruptorin A can significantly upregulates multidrug resistance-associated protein 2 expression via the constitutive androstane receptor-mediated pathway in vitro, and this should be taken as an herb-drug interaction.",{"v":386.4,"d":"386.40"},"73069-25-7",{"v":77,"d":"77.00"},199.28,"N/A","N/A","https://www.selleckchem.com/products/praeruptorin-a-1.html","C21H22O7","free base","N/A","C\\C=C(C)/C(=O)OC1C(OC(C)=O)C2=C(OC1(C)C)C=CC3=C2OC(=O)C=C3",3.502,7,0,5]
["S9409","Kavain","f8","L8100-04","in 10mM DMSO","GABA Receptor","Neuronal Signaling","Kavain ((+)-Kavain), the main kavalactone found mostly in the roots of the kava plant, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor.",230.26,"500-64-1",{"v":46,"d":"46.00"},199.77,"N/A","N/A","https://www.selleckchem.com/products/kavain.html","C14H14O3","free base","(+)-Kavain","COC1=CC(=O)OC(C1)\\C=C\\C2=CC=CC=C2",2.218,3,0,3]
["S9502","Madecassic acid","g8","L8100-04","in 10mM DMSO","COX,Immunology & Inflammation related,Interleukins,NF-κB,NOS,TNF-alpha","Immunology & Inflammation","Madecassic acid (Brahmic acid), a natural triterpene first isolated from C. asiatica, has diverse anti-inflammatory and anti-diabetic effects, blocking NF-κB activation in macrophages and causing by iNOS, COX-2, TNF-alpha, IL-1beta and IL-6 inhibition.",{"v":504.7,"d":"504.70"},"18449-41-7",{"v":100,"d":"100.00"},198.13,{"v":-1,"d":"-1.00"},"N/A","http://www.selleckchem.com/products/madecassic-acid.html","C30H48O6","Free Base","Brahmic acid","CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O",3.265,1,4,2]
["S9566","Bepridil hydrochloride","h8","L8100-04","in 10mM DMSO","Calcium Channel","Transmembrane Transporters","Bepridil hydrochloride(CERM 1978) is an anti-anginal drug classified as a calcium channel blocker. It also blocks multiple other ion channels, including sodium and potassium channels.",421.02,"74764-40-2",{"v":41,"d":"41.00"},97.38,{"v":-1,"d":"-1.00"},"N/A","http://www.selleckchem.com/products/bepridil-hydrochloride.html","C24H37ClN2O2","hydrochloride","CERM 1978","O.Cl.CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3",5.439,1,0,10]
["S6589","Norethisterone Enanthate","a9","L8100-04","in 10mM DMSO","Others","Others","Norethisterone Enanthate (Norethindrone Enanthate) is a form of progestogen-only injectable birth control which is used to prevent pregnancy in women.",410.59,"3836-23-5",{"v":82,"d":"82.00"},199.71,"<1","N/A","http://www.selleck.cn/products/norethisterone-enanthate.html","C27H38O3","Free Base","Norethindrone Enanthate","CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C",7.186,3,0,7]
["S6607","YL-109","b9","L8100-04","in 10mM DMSO","Others","Metabolism","YL-109 is a novel antitumor agent that has ability to inhibit breast cancer cell growth and invasiveness in vitro and in vivo.",257.31,"36341-25-0",{"v":51,"d":"51.00"},{"v":198.2,"d":"198.20"},"<1","N/A","http://www.selleck.cn/products/yl-109.html","C14H11NO2S","Free Base","N/A","COC1=CC(=CC=C1O)C2=NC3=CC=CC=C3S2",{"v":3.58,"d":"3.580"},2,1,2]
["S6727","AX-024 HCl","c9","L8100-04","in 10mM DMSO","CD markers,IFN,Interleukins,TNF-alpha","Transmembrane Transporters","AX-024 HCl blocks the interaction of the CD3ε PRS with SH3.1(Nck). AX-024 HCl also inhibits IL-6, TNF-α, IFN-γ, IL-10 and IL-17A.",375.86,"1704801-24-0",{"v":75,"d":"75.00"},199.54,{"v":4,"d":"4.00"},10.64,"http://www.selleck.cn/products/ax-024-hcl.html","C21H23ClFNO2","Hydrochloride","N/A","Cl.COC1=CC2=C(OCC(=C2C3=CC=C(F)C=C3)CN4CCCC4)C=C1",4.579,2,0,4]
["S6752","Y16","d9","L8100-04","in 10mM DMSO","Rho","Cell Cycle","Y16 is an inhibitor of G-protein-coupled Rho GEFs. It blocks the binding of LARG, a DBL-family Rho guanine nucleotide exchange factor, with Rho (Kd = 80 nM).",384.43,"429653-73-6",{"v":39,"d":"39.00"},101.45,"<1","N/A","http://www.selleck.cn/products/y16.html","C24H20N2O3","Free Base","N/A","CC1=CC=CC(=C1)COC2=CC=CC(=C2)/C=C/3C(=O)NN(C3=O)C4=CC=CC=C4",4.305,3,1,5]
["S9015","Homoharringtonine (CGX-635)","e9","L8100-04","in 10mM DMSO","STAT","JAK/STAT","Homoharringtonine (CGX-635, Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633), a plant alkaloid with antitumor properties, inhibits protein translation by preventing the initial elongation step of protein synthesis via an interaction with the ribosomal A-site. Homoharringtonine reversiblely inhibits IL-6-induced STAT3 Tyrosine 705 phosphorylation and reduced anti-apoptotic proteins expression.",545.62,"26833-87-4",{"v":10,"d":"10.00"},18.33,"N/A","N/A","https://www.selleckchem.com/products/homoharringtonine.html","C29H39NO9","free Base","Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633","COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C2C3=CC4=C(OCO4)C=C3CCN5CCCC25C=C1OC",2.418,7,0,11]
["S2418","Frentizole","f9","L8100-04","in 10mM DMSO","Beta Amyloid","Neuronal Signaling","Frentizole (Frentizol) is a novel inhibitor of amyloid beta peptide (Abeta) binding alcohol dehydrogenase (ABAD) interaction with IC50 of 200 μM. Frentizole is a nontoxic antiviral and immunosuppressive agent used clinically in rheumatoid arthritis and systemic lupus erythematosus.",299.35,"26130-02-9",{"v":60,"d":"60.00"},200.43,"<1","N/A","http://www.selleck.cn/products/frentizole.html","C15H13N3O2S","Free Base","Frentizol","COC1=CC=C2N=C(NC(=O)NC3=CC=CC=C3)SC2=C1",3.132,3,2,3]
["S2436","Pranidipine","g9","L8100-04","in 10mM DMSO","Calcium Channel","Transmembrane Transporters","Pranidipine (Acalas, OPC 13340) is a new 1,4-dihydropyridine calcium channel blocker. Pranidipine can enhance cyclic GMP-independent nitric oxide-induced relaxation of the rat aorta.",448.47,"99522-79-9",{"v":90,"d":"90.00"},200.68,"<1","N/A","http://www.selleck.cn/products/pranidipine.html","C25H24N2O6","Free Base","Acalas, OPC 13340","COC(=O)C1=C(C)NC(=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)OC\\C=C\\C3=CC=CC=C3)C",3.817,4,1,9]
["S2444","Parbendazole","h9","L8100-04","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Parbendazole (SKF 29044) is an extremely potent inhibitor of microtubule assembly with IC50 of 3 µM for the assembly of brain microtubules.",247.29,"14255-87-9",{"v":3,"d":"3.00"},12.13,"<1","N/A","http://www.selleck.cn/products/parbendazole.html","C13H17N3O2","Free Base","SKF 29044","CCCCC1=CC=C2N=C(NC(=O)OC)[NH]C2=C1",3.505,3,2,5]
["S6673","CCG-222740","a10","L8100-04","in 10mM DMSO","Actin,Rho","Cell Cycle","CCG-222740 is a Rho/MRTF pathway inhibitor. CCG-222740 decreases the activation of stellate cells in vitro and in vivo, by reducing the levels of alpha smooth muscle actin(α-SMA) expression.",444.86,"1922098-69-8",{"v":89,"d":"89.00"},200.06,"<1","N/A","http://www.selleck.cn/products/ccg-222740.html","C23H19ClF2N2O3","Free Base","N/A","FC1(F)CC(CN(C1)C(=O)C2=CC(=CC=C2)C3=CC=CO3)C(=O)NC4=CC=C(Cl)C=C4",{"v":3.99,"d":"3.990"},3,1,4]
["S0436","Pleconaril","b10","L8100-04","in 10mM DMSO","Enterovirus","Microbiology","Pleconaril (APO-P001, Picovir, VP 63843, WIN 63843) is a capsid inhibitor used previously to treat enterovirus infections. Pleconaril is effective in inhibiting replication with IC50 of < 0.050 μM.",381.35,"153168-05-9",{"v":76,"d":"76.00"},199.29,"˂1","N/A","http://www.selleckchem.com/products/pleconaril.html","C18H18F3N3O3","Free Base","APO-P001, Picovir, VP 63843, WIN 63843","CC1=NOC(=C1)CCCOC2=C(C)C=C(C=C2C)C3=NOC(=N3)C(F)(F)F",4.492,6,0,7]
["S2447","Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222)","c10","L8100-04","in 10mM DMSO","ADC Cytotoxin,Microtubule Associated","Cytoskeletal Signaling","Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222, Antibiotic C 15003P3) is a potent inhibitor of tubulin polymerization with IC50 of 3.4 μM.",635.14,"66584-72-3",{"v":100,"d":"100.00"},157.45,"<1","N/A","http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html","C32H43ClN2O9","Free Base","Antibiotic C 15003P3","COC1\\C=C\\C=C(C)\\CC2=CC(=C(Cl)C(=C2)OC)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4",4.445,8,1,5]
["S6685","Mavacoxib","d10","L8100-04","in 10mM DMSO","COX","Immunology & Inflammation","Mavacoxib (Trocoxil) is a selective, long-acting cyclooxygenase-2 (COX-2) inhibitor. Mavacoxib is a novel nonsteroidal anti-inflammatory drug (NSAID).",385.34,"170569-88-7",{"v":77,"d":"77.00"},199.82,"<1","N/A","http://www.selleckchem.com/products/mavacoxib.html","C16H11F4N3O2S","Free Base","Trocoxil","N[S](=O)(=O)C1=CC=C(C=C1)[N]2N=C(C=C2C3=CC=C(F)C=C3)C(F)(F)F",4.147,3,1,4]
["S6796","BTB-1","e10","L8100-04","in 10mM DMSO","Kinesin","Cytoskeletal Signaling","BTB-1 is a novel, selective and reversible inhibitor of the mitotic motor protein Kif18A with IC50 of 1.69 μM.",297.71,"86030-08-2",{"v":60,"d":"60.00"},201.54,"<1","N/A","http://www.selleckchem.com/products/btb-1.html","C12H8ClNO4S","Free Base","N/A","[O-][N+](=O)C1=C(C=CC(=C1)Cl)[S](=O)(=O)C2=CC=CC=C2",3.491,2,0,3]
["S8951","TED-347","f10","L8100-04","in 10mM DMSO","TEAD,YAP","Hippo","TED-347 is a potent, irreversible, covalent and allosteric inhibitor of the TEAD⋅Yap protein-protein interaction. TED-347 inhibits TEAD4⋅Yap1 protein-protein interaction with an apparent EC50 of 5.9 μM.",{"v":313.7,"d":"313.70"},"2378626-29-8",{"v":69,"d":"69.00"},219.96,"˂1","N/A","http://www.selleckchem.com/products/ted-347.html","C15H11ClF3NO","Free Base","N/A","FC(F)(F)C1=CC=CC(=C1)NC2=CC=CC=C2C(=O)CCl",4.594,1,1,5]
["S0346","NAcM-OPT","g10","L8100-04","in 10mM DMSO","ADC Cytotoxin,E2 conjugating","Ubiquitin","NAcM-OPT is a specific, reversible and orally bioavailable inhibitor of cullin neddylation 1 (DCN1) that targets N-Acetyl-UBE2M (E2 conjugating enzyme, UBC12) interaction with DCN1 with IC50 of 79 nM.",{"v":434.4,"d":"434.40"},"2089293-61-6",{"v":87,"d":"87.00"},200.28,"<1","N/A","http://www.selleckchem.com/products/nacm-opt.html","C23H29Cl2N3O","free base","N/A","CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC=C(Cl)C(=C3)Cl",5.504,1,1,7]
["S0444","Indibulin","h10","L8100-04","in 10mM DMSO","Apoptosis related,Microtubule Associated","Cytoskeletal Signaling","Indibulin (ZIO 301, D 24851, Zybulin) is an orally applied inhibitor of tubulin assembly with potent anticancer activity. Indibulin induces mitotic arrest and apoptosis.",389.83,"204205-90-3",{"v":40,"d":"40.00"},102.61,"<1","N/A","http://www.selleckchem.com/products/Indibulin.html","C22H16ClN3O2","free base","ZIO 301, D 24851, Zybulin","ClC1=CC=C(C[N]2C=C(C(=O)C(=O)NC3=CC=NC=C3)C4=CC=CC=C24)C=C1",4.097,3,1,5]
["S1001","Navitoclax (ABT-263)","a11","L8100-04","in 10mM DMSO","Bcl-2","Apoptosis","Navitoclax (ABT-263) is a potent inhibitor of Bcl-xL, Bcl-2 and Bcl-w with Ki of ≤ 0.5 nM, ≤1 nM and ≤1 nM in cell-free assays, but binds more weakly to Mcl-1 and A1. Phase 2.",974.61,"923564-51-6",{"v":100,"d":"100.00"},102.61,"<1","N/A","http://www.selleckchem.com/products/ABT-263.html","C47H55ClF3N5O6S3","free base","N/A","CC1(C)CCC(=C(CN2CCN(CC2)C3=CC=C(C=C3)C(=O)N[S](=O)(=O)C4=CC(=C(NC(CCN5CCOCC5)CSC6=CC=CC=C6)C=C4)[S](=O)(=O)C(F)(F)F)C1)C7=CC=C(Cl)C=C7",10.495,6,2,17]
["S3301","Cynarin","b11","L8100-04","in 10mM DMSO","CD markers,Glutathione,Nrf2,ROS","Immunology & Inflammation","Cynarin (Cynarine) is an artichoke phytochemical that possesses a variety of pharmacological features including free-radical scavenging, antioxidant, antihistamic and antiviral activities. Cynarin blocks the interaction between the CD28 of T-cell receptor and CD80 of antigen presenting cells. Cynarin triggers Nrf2 nuclear translocation, restores the balance of glutathione (GSH) and reactive oxygen species (ROS), and inhibits mitochondrial depolarization.",516.45,"30964-13-7",{"v":100,"d":"100.00"},193.63,{"v":-1,"d":"-1.00"},"N/A","http://www.selleckchem.com/products/cynarin.html","C25H24O12","free base","Cynarine","OC1CC(CC(OC(=O)/C=C/C2=CC=C(O)C(=C2)O)C1O)(OC(=O)\\C=C\\C3=CC=C(O)C(=C3)O)C(O)=O",1.687,5,6,9]
["S6845","GRL0617","c11","L8100-04","in 10mM DMSO","DUB,SARS-CoV","Ubiquitin","GRL0617 is a potent, selective and competitive noncovalent inhibitor of severe acute respiratory syndrome (SARS-CoV) papain-like protease (PLPro)/deubiquitinase with IC50 of 0.6 μM and Ki of 0.49 μM. GRL0617 inhibits SARS-CoV viral replication in Vero E6 cells with EC50 of 15 microM and has no associated cytotoxicity.",304.39,"1093070-16-6",{"v":65,"d":"65.00"},213.54,"<1","N/A","http://www.selleckchem.com/products/grl0617.html","C20H20N2O","free base","N/A","CC(NC(=O)C1=C(C)C=CC(=C1)N)C2=CC=CC3=CC=CC=C23",3.647,1,2,3]
["S6847","ML-9 HCl","d11","L8100-04","in 10mM DMSO","Akt,Autophagy,Calcium Channel,MLCK","PI3K/Akt/mTOR","ML-9 HCl (ML-9 hydrochloride) is a selective and potent inhibitor of Akt kinase, myosin light chain kinase (MLCK) and stromal interaction molecule 1 (STIM1). ML-9 HCl is also a potent inhibitor of Ca2+-permeable channels. ML-9 HCl is a lysosomotropic agent targeting autophagy and cell death.",361.29,"105637-50-1",{"v":72,"d":"72.00"},199.29,{"v":10,"d":"10.00"},27.68,"http://www.selleckchem.com/products/ml-9-hcl.html","C15H18Cl2N2O2S","hydrochloride","ML-9 hydrochloride","Cl.ClC1=CC=CC2=C1C=CC=C2[S](=O)(=O)N3CCCNCC3",2.385,2,1,2]
["S6893","PIN1 inhibitor API-1","e11","L8100-04","in 10mM DMSO","DNA/RNA Synthesis","DNA Damage/DNA Repair","PIN1 inhibitor API-1 is a specific Pin1 (peptidyl-prolyl cis-trans isomerase NIMA-interacting 1) inhibitor with IC50 of 72.3 nM. PIN1 inhibitor API-1 targets Pin1 peptidyl-prolyl isomerase domain and inhibits Pin1 cis-trans isomerizing activity. PIN1 inhibitor API-1 up-regulates miRNA biogenesis by retaining active XPO5 conformation and suppresses HCC development.",{"v":366.3,"d":"366.30"},"680622-70-2",{"v":73,"d":"73.00"},199.29,"<1","N/A","http://www.selleckchem.com/products/pin1-inhibitor-api-1.html","C15H13F3N6O2","free base","N/A","NC1=NC2=NC=NC2=C([NH]1)OCC3=CC=C(CNC(=O)C(F)(F)F)C=C3",1.601,5,3,6]
["S6905","MCP110","f11","L8100-04","in 10mM DMSO","Raf,Ras","MAPK","MCP110 is an inhibitor of Ras/Raf-1 interaction. MCP110 disrupts the interaction of activated Ras with Raf and is potential for the treatment of human tumors.",508.65,"521310-51-0",{"v":100,"d":"100.00"},{"v":196.6,"d":"196.60"},"<1","N/A","http://www.selleckchem.com/products/mcp110.html","C33H36N2O3","free base","N/A","COC1=CC(=CC=C1OCC2=CC=CC=C2)CN(CCC3=NC=CC=C3)C(=O)CCCCC4=CC=CC=C4",6.677,4,0,14]
["S8449","VH298","g11","L8100-04","in 10mM DMSO","E3 Ligase ,HIF,PROTAC","Ubiquitin","VH298 is a potent VHL (Von Hippel-Lindau, the E3 ligase) inhibitor that stabilizes HIF-α. VH298 blocks the VHL:HIF-α interaction with Kd of 90 nM in isothermal titration calorimetry (ITC) and 80 nM in a competitive fluorescence polarization assay. VH-298 can be used in PROTAC technology.",523.65,"2097381-85-4",{"v":100,"d":"100.00"},190.97,"<1","N/A","http://www.selleckchem.com/products/vh298.html","C27H33N5O4S","free base","N/A","CC1=C(SC=N1)C2=CC=C(CNC(=O)C3CC(O)CN3C(=O)C(NC(=O)C4(CC4)C#N)C(C)(C)C)C=C2",1.504,4,3,8]
["S8906","MYCi975","h11","L8100-04","in 10mM DMSO","Myc","Cell Cycle","MYCi975 (NUCC-0200975) is a potent, selective and orally active inhibitor of MYC that disrupts MYC/MAX interaction, promotes MYC T58 phosphorylation and MYC degradation, and impairs MYC driven gene expression. MYCi975 exhibits potent anti-tumor activities.",{"v":561.3,"d":"561.30"},"2289691-01-4",{"v":100,"d":"100.00"},178.16,"<1","N/A","http://www.selleckchem.com/products/myci975.html","C25H16Cl2F6N2O2","free base","NUCC-0200975","C[N]1N=C(C=C1C2=C(O)C(=C(OCC3=CC=C(Cl)C=C3)C=C2)C4=CC(=C(Cl)C=C4)C(F)(F)F)C(F)(F)F",8.775,2,1,7]
["S8916","BI-3406","a2","L8100-05","in 10mM DMSO","Ras","Cell Cycle","BI-3406 (compound I-13) is a potent, selective and orally active inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with IC50 of 5 nM. BI-3406 reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling. BI-3406 exhibits anti-tumor activities.",462.46,"2230836-55-0",{"v":92,"d":"92.00"},198.94,"<1","N/A","http://www.selleckchem.com/products/bi-3406.html","C23H25F3N4O3","free base","N/A","COC1=C(OC2CCOC2)C=C3C(=NC(=NC3=C1)C)NC(C)C4=CC(=CC(=C4)N)C(F)(F)F",3.594,5,2,7]
["S9610","BMS-1001","b2","L8100-05","in 10mM DMSO","PD-1/PD-L1","Apoptosis","BMS-1001 is a potent inhibitor of PD-1/PD-L1 interaction with EC50 of 253 nM. BMS-1001 alleviates the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes.",594.65,"2113650-03-4",{"v":25,"d":"25.00"},42.04,"<1","N/A","http://www.selleckchem.com/products/bms-1001.html","C35H34N2O7","free base","N/A","CC1=CC(=C(OCC2=CC=CC(=C2)C#N)C=C1OCC3=C(C)C(=CC=C3)C4=CC5=C(OCCO5)C=C4)CNC(CO)C(O)=O",{"v":3.03,"d":"3.030"},5,2,12]
["S0515","PLpro inhibitor","c2","L8100-05","in 10mM DMSO","DUB,SARS-CoV","Ubiquitin","PLpro inhibitor (compound 6) is a potent papain-like protease (PLpro)/deubiquitinase (DUBs) inhibitor with IC50 of 2.6 μM and EC50 of 13.1 μM that blocks SARS virus replication.",346.42,"1093070-14-4",{"v":69,"d":"69.00"},199.18,"<1","N/A","https://www.selleckchem.com/products/plpro-inhibitor.html","C22H22N2O2","Free Base","N/A","CC(NC(=O)C1=C(C)C=CC(=C1)NC(C)=O)C2=CC=CC3=CC=CC=C23",3.514,2,2,4]
["S0856","KM91104","d2","L8100-05","in 10mM DMSO","ATPase","Transmembrane Transporters","KM 91104 is a cell-permeable inhibitor of V-ATPase that specifically targets the interaction between V-ATPase subunit a3 and subunit B2.",272.26,"304481-60-5",{"v":54,"d":"54.00"},198.34,"<1","N/A","https://www.selleckchem.com/products/km91104.html","C14H12N2O4","Free Base","N/A","OC1=C(O)C=C(C=C1)C(=O)NN=CC2=CC=CC=C2O",1.957,2,4,3]
["S0869","Carbetapentane","e2","L8100-05","in 10mM DMSO","Sigma Receptor","GPCR & G Protein","Carbetapentane (Pentoxyverine, CB) is an antitussive anticonvulsant nonselective sigma-1 (σ1) agonist.",333.46,"77-23-6","The physical form of the compound is liquid, which can be dissolved in any proportion.","N/A","N/A","N/A","https://www.selleckchem.com/products/carbetapentane.html","C20H31NO3","Free Base","Pentoxyverine, CB","CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2",3.845,3,0,11]
["S0884","RA-9","f2","L8100-05","in 10mM DMSO","Apoptosis related,DUB","Ubiquitin","RA-9 is a cell-permeable, potent and selective inhibitor of proteasome-associated deubiquitinating enzymes (DUBs) with favorable toxicity profile and anticancer activity. RA-9 selectively induces apoptosis in ovarian cancer cell lines.",365.34,"919091-63-7",{"v":8,"d":"8.00"},{"v":21.9,"d":"21.90"},"<1","N/A","https://www.selleckchem.com/products/ra-9.html","C19H15N3O5","Free Base","N/A","[O-][N+](=O)C1=CC=C(C=C1)\\C=C2/CNC\\C(=C/C3=CC=C(C=C3)[N+]([O-])=O)C2=O",{"v":3.16,"d":"3.160"},1,1,4]
["S1027","FL-411","g2","L8100-05","in 10mM DMSO","Autophagy,Epigenetic Reader Domain","Epigenetics","FL-411 (BRD4-IN-1) is a potent and selective inhibitor of Bromodomain-containing protein 4 (BRD4) with IC50 of 0.43 μM for BRD4(1). FL-411 induces ATG5-dependent autophagy-associated cell death (ACD) by blocking BRD4-AMPK interaction.",341.43,"2118944-88-8",{"v":10,"d":"10.00"},29.29,"<1","N/A","https://www.selleckchem.com/products/fl-411.html","C18H19N3O2S","Free Base","BRD4-IN-1","CN1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(O)C(=C4)C)C",3.236,2,2,1]
["S2798","GW6471","h2","L8100-05","in 10mM DMSO","PPAR","Metabolism","GW 6471 is a potent antagonist of PPARα with IC50 of 0.24 μM.",619.67,"880635-03-0 (436159-64-7 deprecated)",{"v":100,"d":"100.00"},161.38,"<1","N/A","https://www.selleckchem.com/products/gw6471.html","C35H36F3N3O4","Free Base","N/A","CCC(=O)NCC(CC1=CC=C(OCCC2=C(C)OC(=N2)C3=CC=CC=C3)C=C1)N\\C(C)=C/C(=O)C4=CC=C(C=C4)C(F)(F)F",6.435,5,2,15]
["S6921","Dorzagliatin","a3","L8100-05","in 10mM DMSO","Carbohydrate Metabolism","Metabolism","Dorzagliatin (HMS-5552, RO-5305552, Sinogliatin) is a dual-acting glucokinase (GK) activator that improves glycaemic control and pancreatic β-cell function in patients with type 2 diabetes.",462.93,"1191995-00-2",{"v":92,"d":"92.00"},198.73,"<1","N/A","https://www.selleckchem.com/products/dorzagliatin.html","C22H27ClN4O5","Free Base","HMS-5552, RO-5305552, Sinogliatin","CC(C)CC(N1CC(=CC1=O)OC2=CC=CC=C2Cl)C(=O)NC3=N[N](CC(O)CO)C=C3",2.366,4,3,10]
["S9718","TK216","b3","L8100-05","in 10mM DMSO","DNA/RNA Synthesis","DNA Damage/DNA Repair","TK216 is a potent inhibitor targeting E26 transformation specific (ETS) factors via blocking the protein-protein interaction with RNA helicases. TK216 exhibits antilymphoma activity.",376.23,"1903783-48-1",{"v":75,"d":"75.00"},199.35,"<1","N/A","https://www.selleckchem.com/products/tk216.html","C19H15Cl2NO3","Free Base","ONCT 216, SPH-8216","OC1(CC(=O)C2=CC=C(C=C2)C3CC3)C(=O)NC4=C(Cl)C=CC(=C14)Cl",3.785,2,1,4]
["S0235","Lavendustin B","c3","L8100-05","in 10mM DMSO","GLUT,Integrase","Microbiology","Lavendustin B inhibits HIV-1 integrase (IN) interaction with its cognate cellular cofactor lens epithelium-derived growth factor (LEDGF/p75). Lavendustin B is an inhibitor of Tyrosine Kinase and also a competitive inhibitor of glucose transporter 1 (Glut1).",365.38,"125697-91-8",{"v":73,"d":"73.00"},199.79,"<1","N/A","http://www.selleckchem.com/products/lavendustin-b.html","C21H19NO5","Free Base","N/A","OC(=O)C1=C(O)C=CC(=C1)N(CC2=CC=CC=C2O)CC3=CC=CC=C3O",4.062,1,3,6]
["S2973","SEC inhibitor KL-1","d3","L8100-05","in 10mM DMSO","Others","DNA Damage/DNA Repair","SEC inhibitor KL-1 (KL-1) is a potent and selective inhibitor of super elongation complex (SEC) that disrupts the interaction between the SEC scaffolding protein AFF4 and P-TEFb, resulting in impaired release of Pol II from promoter-proximal pause sites and a reduced average rate of processive transcription elongation. KL-1 exhibits an dose-dependent inhibitory effect on AFF4-CCNT1 interaction with Ki of 3.48 μM.",345.78,"900308-84-1",{"v":69,"d":"69.00"},199.55,"<1","N/A","http://www.selleckchem.com/products/sec-inhibitor-kl-1.html","C18H16ClNO4","Free Base","KL-1","COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)NC2=C(C)C=CC(=C2)Cl",3.545,4,1,6]
["S3472","Metarrestin (ML246)","e3","L8100-05","in 10mM DMSO","DNA/RNA Synthesis","DNA Damage/DNA Repair","Metarrestin (ML246) is an orally active and specific perinucleolar compartment (PNC) inhibitor that disrupts the nucleolar structure and inhibits RNA polymerase (Pol) I transcription. Metarrestin blocks metastatic development and extends survival in mouse cancer models.",{"v":474.6,"d":"474.60"},"1443414-10-5",{"v":21,"d":"21.00"},44.25,"<1","N/A","http://www.selleckchem.com/products/metarrestin.html","C31H30N4O","Free Base","N/A","OC1CCC(CC1)N2C=NC3=C(C2=N)C(=C([N]3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6",5.968,1,1,5]
["S4611","TCEP Hydrochloride","f3","L8100-05","in 10mM DMSO","NF-κB","NF-κB","TCEP (Tris(2-carboxyethyl)phosphine) hydrochloride, a non-thiol reducing agent, promotes NF-κB-DNA binding in a dose-related manner.",286.65,"51805-45-9",{"v":57,"d":"57.00"},198.85,{"v":57,"d":"57.00"},198.85,"http://www.selleckchem.com/products/tcep-hydrochloride.html","C9H16ClO6P","Hydrochloride","Tris(2-​carboxyethyl)​phosphine Hydrochloride","Cl.OC(=O)CCP(CCC(O)=O)CCC(O)=O",0.548,3,0,9]
["S5080","Neticonazole","g3","L8100-05","in 10mM DMSO","Fungal","Microbiology","Neticonazole (SS717) is a selecvie inhibitor of exosome biogenesis and secretion. Neticonazole exhibits Neticonazole antifungal and antitumor activity.",302.43,"130726-68-0",{"v":60,"d":"60.00"},198.39,{"v":60,"d":"60.00"},198.39,"http://www.selleckchem.com/products/neticonazole.html","C17H22N2OS","Free Base","SS717","CCCCCOC1=CC=CC=C1C(=C\\SC)/[N]2C=CN=C2",3.456,2,0,8]
["S5978","Gallein","h3","L8100-05","in 10mM DMSO","Dyes,PI3K","PI3K/Akt/mTOR","Gallein (Pyrogallol phthalein) is an inhibitor of G protein βγ (G beta-gamma complex, Gβγ) subunit interaction with PI3 kinase. Gallein inhibits β-ionone effects and exhibits anti-tumor activity. Gallein can be used as a biological stain.",364.31,"2103-64-2",{"v":73,"d":"73.00"},200.38,"<1","N/A","http://www.selleckchem.com/products/gallein.html","C20H12O7","Free Base","Pyrogallol phthalein","OC1=C(O)C2=C(C=C1)C3(OC(=O)C4=CC=CC=C34)C5=C(O2)C(=C(O)C=C5)O",3.253,3,4,0]
["S8956","(Z)-4-Hydroxytamoxifen","a4","L8100-05","in 10mM DMSO","Estrogen/progestogen Receptor","Endocrinology & Hormones","(Z)-4-Hydroxytamoxifen ((Z)-4-OHT, trans-4-Hydroxytamoxifen, 4-Monohydroxytamoxifen) is a selective modulator of estrogen receptor (SERM) with IC50 of 3.3 nM for the [3H]oestradiol binding to oestrogen receptor.",387.51,"68047-06-3",{"v":78,"d":"78.00"},201.29,"<1","N/A","http://www.selleckchem.com/products/z-4-hydroxytamoxifen.html","C26H29NO2","Free Base","(Z)-4-OHT, trans-4-Hydroxytamoxifen, 4-Monohydroxytamoxifen","CC/C(C1=CC=CC=C1)=C(C2=CC=C(O)C=C2)/C3=CC=C(OCCN(C)C)C=C3",6.077,1,1,8]
["S9670","Pitstop 2","b4","L8100-05","in 10mM DMSO","Others","Transmembrane Transporters","Pitstop 2 is an inhibitor of the interaction of amphiphysin with the amino terminal domain of clathrin that inhibits both clathrin-dependent endocytosis (CDE) and clathrin independent endocytosis (CIE).",473.36,"1332879-52-3",{"v":95,"d":"95.00"},200.69,"<1","N/A","http://www.selleckchem.com/products/pitstop-2.html","C20H13BrN2O3S2","Free Base","N/A","BrC1=CC=C(C=C1)\\C=C2/SC(=NC2=O)N[S](=O)(=O)C3=CC=CC4=C3C=CC=C4",5.011,4,1,4]
["S9724","SZL P1-41","c4","L8100-05","in 10mM DMSO","Apoptosis related,E3 Ligase","Ubiquitin","SZL P1-41 (compound #25) is a specific inhibitor of S-phase kinase-associated protein 2 (Skp2) that indeed binds to Skp2, prevents Skp2-Skp1 interaction and inhibits Skp2 SCF E3 ligase activity, which consequently suppresses survival of cancer cells and cancer stem cells. SZL P1-41 causes higher apoptosis rates in cancer cells.",420.52,"222716-34-9",{"v":5,"d":"5.00"},11.89,"<1","N/A","http://www.selleckchem.com/products/szl-p1-41.html","C24H24N2O3S","Free Base","N/A","CCC1=C(O)C(=C2OC=C(C(=O)C2=C1)C3=NC4=C(S3)C=CC=C4)CN5CCCCC5",5.048,3,1,4]
["S0187","M2I-1","d4","L8100-05","in 10mM DMSO","Mad2","Cell Cycle","M2I-1 is an inhibitor of Mad2 (mitotic arrest deficient 2) targeting the binding of Mad2 to Cdc20, an essential protein-protein interaction (PPI) within the SAC (spindle assembly checkpoint).",404.48,"312271-03-7",{"v":80,"d":"80.00"},197.78,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/m2i-1.html","C19H24N4O4S","Free Base","N/A","CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+]([O-])=O",4.203,2,2,7]
["S4485","Olodaterol (BI 1744)","e4","L8100-05","in 10mM DMSO","Adrenergic Receptor","Endocrinology & Hormones","Olodaterol (BI 1744) is a long-acting β2-adrenergic receptor agonist that is used as a component of an inhalation (Tiotropium/Olodaterol) for treating patients with chronic obstructive pulmonary disease (COPD).",386.44,"868049-49-4",{"v":77,"d":"77.00"},199.25,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/olodaterol-bi-1744-.html","C21H26N2O5","Free Base","N/A","COC1=CC=C(CC(C)(C)NCC(O)C2=C3OCC(=O)NC3=CC(=C2)O)C=C1",1.875,3,4,7]
["S6954","CK-869","f4","L8100-05","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","CK-869 (CK 0157869) is a small molecule inhibitor of actin-related protein 2/3 (Arp2/3) complex with an IC50 of 7 μM. CK-869 can directly suppresses microtubule assembly both in vitro and in vivo.",394.28,"388592-44-7",{"v":79,"d":"79.00"},200.37,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/ck-869.html","C17H16BrNO3S","Free Base","CK 0157869","COC1=CC(=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)Br)OC",3.954,3,0,4]
["S6993","(+)-JQ1 carboxylic acid","g4","L8100-05","in 10mM DMSO","BET","Others","(+)-JQ1 carboxylic acid ((+)-JQ1-COOH) is a (+)-JQ1 with a carboxylic acid functional group. (+)-JQ1 carboxylic acid ((+)-JQ1-COOH) can be used as a precursor to a PROTAC that targets BET bromodomains after conjugation to a linker and E3 ligase ligand.",400.88,"202592-23-2",{"v":80,"d":"80.00"},199.56,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/jq-1-carboxylic-acid.html","C19H17ClN4O2S","Free Base","(+)-JQ1-COOH","CC1=C(C)C2=C(S1)[N]3C(=NN=C3C(CC(O)=O)N=C2C4=CC=C(Cl)C=C4)C",3.796,4,0,3]
["S8996","Revumenib","h4","L8100-05","in 10mM DMSO","MLL","Epigenetics","Revumenib(SNDX-5613) is a potent and selective inhibitor of menin-MLL binding with a Ki of 0.15 nM. SNDX-5613 shows anti-proliferative activity against multiple cell lines harboring MLLr translocations (MV4;11, RS4;11, MOLM-13, KOPN-8) with IC50 values ranging from 10-20 nM.",630.82,"2169919-21-3",{"v":25,"d":"25.00"},39.63,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/sndx-5613.html","C32H47FN6O4S","Free Base","SNDX-5613","CCN(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N3CC4(CCN(CC4)CC5CCC(CC5)N[S](=O)(=O)CC)C3)C=CC(=C1)F",{"v":4.06,"d":"4.060"},6,1,11]
["E0030","NS309","a5","L8100-05","in 10mM DMSO","Potassium Channel","Transmembrane Transporters","NS309 is a potent and selective activator of human Ca2+ -activated K+ channels of SK and IK types with an EC50 of 150  nM for hSK3 channel, and displays no activity at BK channels.",231.04,"18711-16-5",{"v":100,"d":"100.00"},432.83,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/ns309.html","C8H4Cl2N2O2","Free Base","N/A","O\\N=C\\1C(=O)NC2=C1C=CC(=C2Cl)Cl",2.066,2,1,0]
["S3408","A286982","b5","L8100-05","in 10mM DMSO","Integrin","Cytoskeletal Signaling","A-286982 is a potent, nonpeptide inhibitor of LFA-1/ICAM-1 interaction with IC50s of 44 nM and 35 nM in an LFA-1/ICAM-1 binding assay and LFA-1-mediated cellular adhesion assay, respectively.",453.55,"280749-17-9",{"v":90,"d":"90.00"},198.43,"<1","N/A","http://www.selleckchem.com/products/a286982.html","C24H27N3O4S","Free Base","N/A","CC(C)C1=CC=CC=C1SC2=C(C=C(/C=C/C(=O)N3CCN(CC3)C(C)=O)C=C2)[N+]([O-])=O",{"v":4.87,"d":"4.870"},2,0,6]
["S7690","CK-666","c5","L8100-05","in 10mM DMSO","Actin","Cytoskeletal Signaling","CK-666 is an inhibitor of the actin-related protein 2/3 (Arp2/3) complex with IC50 of 17 μM and 5 μM for BtArp2/3 complex and SpArp2/3 complex, respectively.",296.34,"442633-00-3",{"v":59,"d":"59.00"},{"v":199.1,"d":"199.10"},"<1","N/A","http://www.selleckchem.com/products/ck-666.html","C18H17FN2O","Free Base","N/A","CC1=C(CCNC(=O)C2=CC=CC=C2F)C3=C([NH]1)C=CC=C3",{"v":3.59,"d":"3.590"},1,2,4]
["E0158","N-Nitroso-N-methylurea","d5","L8100-05","in 10mM DMSO","Others","Others","N-Nitroso-N-methylurea (NMU, MNU, NMH, 1-Methyl-1-nitrosourea, N-Methyl-Nnitrosourea, Methylnitrosourea) is a highly reliable carcinogen, mutagen, and teratogen.",103.08,"684-93-5",{"v":21,"d":"21.00"},203.73,{"v":10,"d":"10.00"},97.01,"http://www.selleckchem.com/products/n-nitroso-n-methylurea.html","C2H5N3O2","Free Base","NMU, MNU, NMH, 1-Methyl-1-nitrosourea, N-Methyl-Nnitrosourea, Methylnitrosourea","CN(N=O)C(N)=O",{"v":-0.34,"d":"-0.340"},2,1,1]
["E1042","SMIFH2","e5","L8100-05","in 10mM DMSO","Actin","Cytoskeletal Signaling","SMIFH2 is a specific inhibitor of formin that inhibits formin-driven actin polymerization in vitro with IC50s ranging from 5 to 15 μM for different formins.",377.21,"340316-62-3",{"v":75,"d":"75.00"},198.83,"<1","N/A","http://www.selleckchem.com/products/smifh2.html","C15H9BrN2O3S","Free Base","N/A","BrC1=CC=CC(=C1)N2C(=S)NC(=O)C(=C\\C3=CC=CO3)/C2=O",{"v":3.69,"d":"3.690"},3,1,2]
["S0734","Aminopurvalanol A","f5","L8100-05","in 10mM DMSO","CDK","Cell Cycle","Aminopurvalanol A, a selective,cell permeable and competitive inhibitor of cyclins/Cdk complexes, causes the reduction of in vitro fertilizing ability of boar spermatozoa, by negatively affecting the capacitation-dependent actin polymerization.",403.91,"220792-57-4",{"v":81,"d":"81.00"},200.54,"<1","N/A","http://www.selleckchem.com/products/aminopurvalanol-a.html","C19H26ClN7O","free base","N/A","CC(C)C(CO)NC1=NC(=C2N=C[N](C(C)C)C2=N1)NC3=CC(=CC(=C3)N)Cl",3.715,3,4,7]
["S1991","iKIX1","g5","L8100-05","in 10mM DMSO","Fungal","Microbiology","iKIX1 is an antifungal agent and resensitizes drug-resistant Candida glabrata to azole antifungals in vitro, which blocks the interaction between the CgGal11A KIX domain and theCgPdr1 activation domain (AD), the IC50 and Ki values are 190.2 μM and 18 μM, respectively.",303.17,"656222-54-7",{"v":61,"d":"61.00"},201.21,"<1","N/A","http://www.selleckchem.com/products/ikix1.html","C10H8Cl2N4OS","free base","N/A","ClC1=CC=C(NC(=S)NNC(=O)CC#N)C=C1Cl",2.998,1,3,5]
["S3374","Verubulin hydrochloride","h5","L8100-05","in 10mM DMSO","Microtubule Associated","Cytoskeletal Signaling","Verubulin hydrochloride(MPC 6827 hydrochloride) is a microtubule destabilizer and vascular disrupting agent that achieve high brain concentration relative to plasma in animals.",{"v":315.8,"d":"315.80"},"917369-31-4",{"v":56,"d":"56.00"},200.47,{"v":56,"d":"56.00"},200.47,"http://www.selleckchem.com/products/verubulin-hydrochloride.html","C17H18ClN3O","hydrochloride","MPC 6827 hydrochloride","Cl.COC1=CC=C(C=C1)N(C)C2=C3C=CC=CC3=NC(=N2)C",4.004,3,0,3]
["S6960","Auxinole","a6","L8100-05","in 10mM DMSO","Others","Endocrinology & Hormones","Auxinole is a potent auxin antagonist that binds to TIR1 and blocks the formation of the TIR1-IAA-Aux/IAA complex. Auxinole is an OsTIR1 inhibitor that suppresses leaky degradation of degron-fused proteins.",321.37,"86445-22-9",{"v":64,"d":"64.00"},199.15,"<1","N/A","http://www.selleckchem.com/products/auxinole.html","C20H19NO3","free base","N/A","CC1=CC(=C(C=C1)C(=O)CC(C(O)=O)C2=C[NH]C3=C2C=CC=C3)C",4.175,2,1,5]
["E0778","o-3M3FBS","b6","L8100-05","in 10mM DMSO","Calcium Channel","Transmembrane Transporters","O-3M3FBS, the negative control of m-3M3FBS, inhibits inward and outward currents via mechanisms independent of PLC acting in an antagonistic manner, reversibly inhibits delayed rectifier K+ channels, increases in [Ca2+](i) in an agonistic manner with m-3M3FBS.",343.36,"313981-55-4",{"v":69,"d":"69.00"},200.96,"<1","N/A","http://www.selleckchem.com/products/o-3m3fbs.html","C16H16F3NO2S","free base","N/A","CC1=CC(=C(C(=C1)C)[S](=O)(=O)NC2=CC=CC=C2C(F)(F)F)C",4.718,2,1,4]
["E0794","MID-1","c6","L8100-05","in 10mM DMSO","IGF-1R","Protein Tyrosine Kinase","MID-1 is a disruptor of MG53-IRS-1 (Mitsugumin 53-insulin receptor substrate-1) interaction, which can disrupts molecular association of MG53 with IRS-1 and abolishes MG53-induced IRS-1 ubiquitination and degradation in skeletal muscle, leading to elevated IRS-1 expression level and increased insulin signaling and glucose uptake.",{"v":293.3,"d":"293.30"},"312608-54-1",{"v":30,"d":"30.00"},102.28,"<1","N/A","http://www.selleckchem.com/products/mid-1.html","C12H11N3O4S","free base","N/A","CCOC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)[N+]([O-])=O",1.963,3,1,5]
["E0808","BI-6C9","d6","L8100-05","in 10mM DMSO","Apoptosis related","Apoptosis","BI-6C9 is a highly specific BH3 interacting domain (Bid) inhibitor, which prevents mitochondrial outer membrane potential (MOMP) and mitochondrial fission, and protects the cells from mitochondrial apoptosis inducing factor (AIF) release and caspase-independent cell death in neurons.",{"v":471.6,"d":"471.60"},"791835-21-7",{"v":94,"d":"94.00"},199.32,"<1","N/A","http://www.selleckchem.com/products/bl-6C9.html","C23H25N3O4S2","free base","N/A","COC1=CC=C(C=C1)[S;v6](=O)(=O)NCCCC(=O)NC2=CC=C(SC3=CC=C(N)C=C3)C=C2",3.302,4,3,10]
["E0936","IGS-1.76","e6","L8100-05","in 10mM DMSO","Calcium Channel","Transmembrane Transporters","IGS-1.76, a protein-protein interaction (PPI) inhibitor, which exerts drug-like properties showing a significantly affinity for human neuronal calcium sensor 1 (hNCS-1), and efficiently modulates the interaction of hNCS-1 and guanine exchange factor Ric8a.",358.46,"313480-47-6",{"v":72,"d":"72.00"},200.86,"<1","N/A","http://www.selleckchem.com/products/igs-1-76.html","C22H18N2OS","free base","N/A","O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC3=NC4=C(S3)C=CC=C4",5.015,2,1,5]
["E0943","NBD-556","f6","L8100-05","in 10mM DMSO","HIV Protease","Microbiology","NBD-556 is a novel human immunodeficiency virus type 1 (HIV-1)  entry inhibitor that block the gp120-CD4 interaction.",337.84,"333353-44-9",{"v":68,"d":"68.00"},201.28,"<1","N/A","http://www.selleckchem.com/products/nbd-556.html","C17H24ClN3O2","free base","N/A","CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)NC2=CC=C(Cl)C=C2",1.708,2,3,3]
["E0945","BIA","g6","L8100-05","in 10mM DMSO","Akt,Calcium Channel","Transmembrane Transporters","BIA (TMBIM6 antagonist BIA), a potential TMBIM6 antagonist, is an inhibitor of the interaction between TMBIM6 (Transmembrane B cell lymphoma 2-associated X protein (BAX) inhibitor motif-containing 6) and mTORC2, which ultimately blocks AKT activation and cancer progression.",268.27,"134271-74-2",{"v":54,"d":"54.00"},201.29,"<1","N/A","http://www.selleckchem.com/products/bia.html","C15H12N2O3","free base","TMBIM6 antagonist BIA","NC1=CC=CC=C1C(=O)\\C=C\\C2=CC=CC(=C2)[N+]([O-])=O",2.849,1,1,4]
["E1059","UNC6934","h6","L8100-05","in 10mM DMSO","NSD","Methylation","UNC6934 is a a chemical probe targeting the N-terminal PWWP (PWWP1) domain of NSD2. UNC6934 is a potent antagonist of NSD2-PWWP1 with a Kd (SPR) of 80 nM and is selective for NSD2-PWWP1 over 14 other PWWP domains including NSD3-PWWP1 UNC6934 disrupts the NSD2-PWWP1 interaction with H3K36me2 nucleosomes in U2OS cells as measured by a NanoBret assay with an IC50 of 1.09 μM.",443.46,"2561494-77-5",{"v":22,"d":"22.00"},49.61,"<1","N/A","http://www.selleckchem.com/products/unc6934.html","C24H21N5O4","free base","N/A","O=C1COC2=C(N1)C=CC(=C2)C(=O)N(CC3=CC=C(C=C3)C(=O)NC4=CC=NC=N4)C5CC5",1.652,6,2,6]
["E1087","5-amino-2,4-dimethylpyridine (5A-DMP)","a7","L8100-05","in 10mM DMSO","E3 Ligase","Ubiquitin","5-amino-2,4-dimethylpyridine (5A-DMP) is a novel tandem Tudor domain (TTD)-binding compound that inhibits the full-length UHRF1:LIG1 interaction in Xenopus egg extracts.",122.17,"1193-71-1",{"v":24,"d":"24.00"},196.45,{"v":24,"d":"24.00"},196.45,"http://www.selleckchem.com/products/5-amino-2-4-dimethylpyridine-5a-dmp.html","C7H10N2","free base","N/A","CC1=NC=C(N)C(=C1)C",0.701,1,1,0]
["E1151","JR-AB2-011","b7","L8100-05","in 10mM DMSO","mTOR","PI3K/Akt/mTOR","JR-AB2-011 is a potent inhibitor of mTOR-mLST8-mSIN1-Rictor complex (mTORC2) which can block mTORC2 signaling and Rictor association with mTOR at lower effective concentrations.",398.28,"2411853-34-2",{"v":80,"d":"80.00"},200.86,"<1","N/A","http://www.selleckchem.com/products/jr-ab2-011.html","C17H14Cl2FN3OS","free base","N/A","CC1CN(C(=O)NC2=CC(=C(Cl)C=C2)Cl)C(S1)=NC3=CC=C(F)C=C3",5.705,2,1,2]
["E1152","AGX51","c7","L8100-05","in 10mM DMSO","DNA/RNA Synthesis","DNA Damage/DNA Repair","AGX51, a first-in-class pan-Id (inhibitors of DNA-binding/differentiation proteins) antagonist and degrader, inhibits the Id1-E47 interaction, leading to ubiquitin-mediated degradation of Ids, cell growth arrest, and reduces viability, also inhibits pathologic ocular neovascularization.",431.52,"330834-54-3","The physical form of the compound is liquid, which can be dissolved in any proportion","The physical form of the compound is liquid, which can be dissolved in any proportion","N/A","N/A","http://www.selleckchem.com/products/agx51.html","C27H29NO4","free base","N/A","CCC(=O)N(CCC(C1=CC2=C(OCO2)C=C1)C3=C(OC)C=CC=C3)CC4=CC=CC=C4",5.226,4,0,9]
["E1190","UC2288","d7","L8100-05","in 10mM DMSO","p21","Cell Cycle","UC2288 is a novel, cell-permeable, and orally active p21 attenuator, decreases p21 mRNA expression independently of p53, and attenuates p21 protein levels with minimal effect on p21 protein stability.",481.82,"1394011-91-6",{"v":96,"d":"96.00"},199.24,"<1","N/A","http://www.selleckchem.com/products/uc2288.html","C20H18ClF6N3O2","free base","N/A","FC(F)(F)C1=CC=C(OC2CCC(CC2)NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)N=C1",5.676,3,2,6]
["E2252","SU3327","e7","L8100-05","in 10mM DMSO","JNK","MAPK","SU3327 is a potent, selective and substrate-competitive c-Jun N-terminal kinase (JNK) inhibitor with an IC50 of 0.7 μM.",261.31,"40045-50-9",{"v":52,"d":"52.00"},{"v":199,"d":"199.00"},"<1","N/A","http://www.selleckchem.com/products/su3327.html","C5H3N5O2S3","free base","N/A","NC1=NN=C(S1)SC2=NC=C(S2)[N+]([O-])=O",1.233,3,1,3]
["E2376","KY-05009","f7","L8100-05","in 10mM DMSO","MAP4K,Wnt/beta-catenin","Hippo","KY-05009 is an ATP-competitive Traf2- and Nck-interacting kinase (TNIK) inhibitor with a Ki of 100 nM, which inhibits the protein expression of TNIK and transcriptional activity of Wnt target genes and induces apoptosis in cancer cells.",352.41,"1228280-29-2",{"v":70,"d":"70.00"},198.63,"<1","N/A","http://www.selleckchem.com/products/ky-05009.html","C18H16N4O2S","free base","N/A","CC1=CC=C(C=C1)C(=O)NC2=C(N=C(NC3=CC=CC=C3)S2)C(N)=O",3.203,3,3,5]
["E2631","Colcemid","g7","L8100-05","in 10mM DMSO","Apoptosis related","Apoptosis","Colcemid (Demecolcine), a derivative of colchicine, is a potent mitotic inhibitor which can incuces cell apoptosis and can be used for cancer research.",371.43,"477-30-5",{"v":75,"d":"75.00"},201.92,{"v":75,"d":"75.00"},201.92,"http://www.selleckchem.com/products/colcemid.html","C21H25NO5","free base","Demecolcine","CNC1CCC2=CC(=C(OC)C(=C2C3=CC=C(OC)C(=O)C=C13)OC)OC",2.454,5,1,5]
["E2683","Ursodeoxycholic acid sodium","h7","L8100-05","in 10mM DMSO","Others","Others","Ursodeoxycholic acid sodium is a sodium salt of a naturally occurring bile acid that is used to treat a variety of hepatic and gastrointestinal diseases.",414.55,"2898-95-5",{"v":83,"d":"83.00"},200.22,{"v":83,"d":"83.00"},200.22,"http://www.selleckchem.com/products/ursodeoxycholic-acid-sodium.html","C24H40O4.Na","Sodium salt","N/A","[Na+].CC(CCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C",{"v":2.54,"d":"2.540"},0,2,4]
["E2686","Methoprene","a8","L8100-05","in 10mM DMSO","Others","Endocrinology & Hormones","Methoprene is a growth-regulating insecticide that manifests its toxicity to target organisms by acting as a juvenile hormone agonist.",310.47,"40596-69-8","The physical form of the compound is liquid, which can be dissolved in any proportion","The physical form of the compound is liquid, which can be dissolved in any proportion","N/A","N/A","http://www.selleckchem.com/products/methoprene.html","C19H34O3","free base","N/A","COC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)OC(C)C",5.059,3,0,11]
["E2832","LCS-1","b8","L8100-05","in 10mM DMSO","SOD","Metabolism","LCS-1 is an inhibitor of superoxide dismutase 1(SOD1) with IC50 of 1.07 μM.",{"v":255.1,"d":"255.10"},"41931-13-9",{"v":51,"d":"51.00"},199.92,"<1","N/A","http://www.selleckchem.com/products/lcs-1.html","C11H8Cl2N2O","free base","N/A","CC1=CC(=CC=C1)N2N=CC(=C(Cl)C2=O)Cl",2.701,2,0,1]
["P1165","Pep2m, myristoylated (TFA)","c8","L8100-05","in 10mM DMSO","GluR","Neuronal Signaling","Pep2m, myristoylated (TFA) is a cell-permeable peptide, which can disrupt the protein kinase ζ (PKMζ) downstream targets, N-ethylmaleimide-sensitive factor/glutamate receptor subunit 2 (NSF/GluR2) interactions.",1497.83,"N/A",{"v":100,"d":"100.00"},66.76,{"v":25,"d":"25.00"},16.69,"http://www.selleckchem.com/products/pep2m--myristoylated--tfa-.html","C65H119F3N18O16S","free base","N/A","NA","NA","NA","NA","NA"]
["P1220","tat-nr2b9c","d8","L8100-05","in 10mM DMSO","Others","Neuronal Signaling","Tat-NR2B9c (Tat-NR2Bct, NA-1) is a postsynaptic density-95 (PSD-95) inhibitor, with EC50 values of 6.7 nM and 670 nM for PSD-95d2 (PSD-95 PDZ domain 2) and PSD-95d1, respectively, and disrupts the PSD-95/NMDAR interaction, inhibiting NR2A and NR2B binding to PSD-95 with IC50 values of 0.5 μM and 8 μM, respectively, also inhibits neuronal nitric oxide synthase (nNOS)/PSD-95 interaction, and possesses neuroprotective efficacy.",2518.88,"500992-11-0",{"v":100,"d":"100.00"},{"v":39.7,"d":"39.70"},{"v":100,"d":"100.00"},{"v":39.7,"d":"39.70"},"http://www.selleckchem.com/products/tat-nr2b9c.html","C105H188N42O30","free base","Nerinetide, NA-1","CCC(C)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(C(C)C)C(O)=O",{"v":-21.34,"d":"-21.340"},23,40,99]
["S7817","MI-503","e8","L8100-05","in 10mM DMSO","Histone Methyltransferase,MLL","Epigenetics","MI-503 is a potent and selective Menin-MLL inhibitor with IC50 of 14.7 nM. It shows pronounced growth suppressive activity in a panel of human MLL leukemia cell lines(GI50 at 250 nM-570 nM range), but only a minimal effect in human leukemia cell lines without MLL translocations.",564.63,"1857417-13-0",{"v":100,"d":"100.00"},177.11,"<1","N/A","http://www.selleckchem.com/products/mi-503.html","C28H27F3N8S","free base","N/A","CC1=C2C=C(C#N)[N](CC3=C[NH]N=C3)C2=CC=C1CN4CCC(CC4)NC5=C6C=C(CC(F)(F)F)SC6=NC=N5",5.606,3,2,8]
["E0680","Deslanoside","f8","L8100-05","in 10mM DMSO","ATPase","Transmembrane Transporters","Deslanoside(Desacetyllanatoside C) is a cardenolide glycoside, has the effects of anti-arrhythmia and cardiotonic, also is used as an EC 3.6.3.9 (Na+/K+-transporting ATPase) inhibitor.",943.08,"17598-65-1",{"v":100,"d":"100.00"},106.04,"<1","N/A","http://www.selleckchem.com/products/deslanoside.html","C47H74O19","free base","Desacetyllanatoside C","CC1OC(CC(O)C1OC2CC(O)C(OC3CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5",0.252,10,8,10]
["E2644","Tetramethylcurcumin","g8","L8100-05","in 10mM DMSO","STAT","JAK/STAT","Tetramethylcurcumin (FLLL31), a small-molecule signal transducer and activator of transcription 3 (STAT3) inhibitor derived from curcumin, binds selectively to Janus kinase 2 and the STAT3 Src homology-2 domain, which serve crucial roles in STAT3 dimerization and signal transduction.",424.49,"52328-97-9",{"v":85,"d":"85.00"},200.24,"<1","N/A","http://www.selleckchem.com/products/tetramethylcurcumin.html","C25H28O6","free base","FLLL31","COC1=C(OC)C=C(\\C=C\\C(=O)C(C)(C)C(=O)\\C=C\\C2=CC(=C(OC)C=C2)OC)C=C1",4.885,6,0,10]
["S3376","RBPJ Inhibitor-1 (RIN1)","h8","L8100-05","in 10mM DMSO","Notch","Neuronal Signaling","RBPJ Inhibitor-1 (RIN1) is a potent inhibitor of the transcription factor RBPJ that disrupts the interaction between NOTCH and RBPJ.",311.31,"2682114-39-0",{"v":62,"d":"62.00"},199.16,"<1","N/A","http://www.selleckchem.com/products/rin1.html","C17H14FN3O2","Free base","N/A","C[N]1N=CC=C1C2=CC(=C(C=C2)C(N)=O)OC3=CC=CC=C3F",3.057,3,1,4]
["S6679","C25-140","a9","L8100-05","in 10mM DMSO","NF-κB,Others","Apoptosis","C25-140 is a small-molecule inhibitor of TRAF6-Ubc13 interaction. C25-140 directly binds to TRAF6, thereby blocking the interaction of TRAF6 with Ubc13, and as a consequence lowers TRAF6 activity. C25-140 impedes NF-κB activation in various immune and inflammatory signaling pathways also in primary human and murine cells.",457.57,"1358099-18-9",{"v":92,"d":"92.00"},201.06,"<1","N/A","http://www.selleckchem.com/products/c25-140.html","C26H31N7O","Free base","N/A","CC1=NN=C2C=CC(=N[N]12)[N]3N=C(C)C(=C3C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5",3.869,5,0,6]
["S8059","Nutlin-3a","b9","L8100-05","in 10mM DMSO","Apoptosis related,Autophagy,MDM2/MDMX,p53","Apoptosis","Nutlin-3a ((-)-Nutlin-3), the active enantiomer of Nutlin-3, inhibits the p53/MDM2 interaction with IC50 of 90 nM in a cell-free assay. Nutlin-3a induces autophagy and apoptosis in a p53-dependent manner.",581.49,"675576-98-4",{"v":100,"d":"100.00"},171.97,"<1","N/A","http://www.selleckchem.com/products/nutlin-3a.html","C30H30Cl2N4O4","Free base","(-)-Nutlin-3","COC1=CC(=C(C=C1)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5)OC(C)C",5.434,5,1,6]
["S8431","SPD304","c9","L8100-05","in 10mM DMSO","TNF-alpha","Others","SPD304 is a selective TNF-α inhibitor, which promotes dissociation of TNF trimers and therefore blocks the interaction of TNF and its receptor.",547.61,"869998-49-2",{"v":50,"d":"50.00"},91.31,{"v":100,"d":"100.00"},182.61,"http://www.selleckchem.com/products/spd304.html","C32H32F3N3O2","Free base","N/A","CN(CCN(C)CC1=C[N](C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C13)CC4=COC5=CC(=C(C)C=C5C4=O)C",7.134,2,0,9]
["S8681","Tolinapant (ASTX660)","d9","L8100-05","in 10mM DMSO","IAP","Metabolism","Tolinapant (ASTX660) is a potent, non-peptidomimetic antagonist of cIAP1/2 and XIAP that inhibits the interactions between a SMAC-derived peptide and the BIR3 domains of XIAP (BIR3-XIAP) and cIAP1 (BIR3-cIAP1) with IC50 values less than 40 and 12 nmol/L, respectively.",539.68,"1799328-86-1",{"v":100,"d":"100.00"},185.29,"<1","N/A","http://www.selleckchem.com/products/astx660.html","C30H42FN5O3","Free base","N/A","CC1CN(CC(=O)N2CC(C)(C)C3=C2C=C(CC4=CC=C(F)C=C4)C(=N3)CO)C(CN1)CN5CCOCC5C",{"v":2.93,"d":"2.930"},3,2,7]
["S8934","VTP50469","e9","L8100-05","in 10mM DMSO","Histone Methyltransferase,MLL","Epigenetics","VTP50469 is a potent, highly selective and orally active inhibitor of Menin-MLL interaction with Ki of 104 pM. VTP50469 exhibits anti-leukemia activity.",630.82,"2169916-18-9",{"v":100,"d":"100.00"},158.52,"<1","N/A","http://www.selleckchem.com/products/vtp50469.html","C32H47FN6O4S","Free base","N/A","CC(C)N(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N3CC4(CCN(CC4)CC5CCC(CC5)N[S](C)(=O)=O)C3)C=CC(=C1)F",4.089,6,1,10]
["S8968","PRI-724","f9","L8100-05","in 10mM DMSO","Epigenetic Reader Domain,Wnt/beta-catenin","Stem Cells & Wnt","PRI-724 (C-82 prodrug, ICG-001 analog)  is a potent and specific inhibitor that disrupts the interaction of β-catenin and CBP.",658.64,"1422253-38-0",{"v":100,"d":"100.00"},151.83,"<1","N/A","http://www.selleckchem.com/products/pri-724.html","C33H35N6O7P","Free base","C-82 prodrug, ICG-001 analog","CC1C2N(C(CC3=CC=C(O[P](O)(O)=O)C=C3)C(=O)N1CC4=CC=CC5=C4N=CC=C5)C(=O)CN(C)N2C(=O)NCC6=CC=CC=C6",2.932,5,1,8]
["E0488","BC-LI-0186","g9","L8100-05","in 10mM DMSO","DNA/RNA Synthesis","Cell Cycle","BC-LI-0186 is a selective blocker of Leucyl-tRNA synthetase (LRS, LeuRS) and Ras-related GTP-binding protein D (RagD) interaction (LRS-RagD interaction) (IC50 = 46.11 nM) by competing against RagD for LRS VC domain binding (KD = 42.1 nM), thereby inhibiting lysosomal localization of LRS and mTORC1 activity. It also effectively suppresses the activity of cancer-associated mTOR mutants and the growth of rapamycin-resistant cancer cells.",429.53,"695207-56-8",{"v":86,"d":"86.00"},413.04,"<1","N/A","http://www.selleckchem.com/products/bc-li-0186.html","C9H12BNO4","Free base","N/A","CC(C)C1=C(C)N(C)N(C1=O)C2=CC=C(C=C2)[S](=O)(=O)NCCOC3=CC=CC=C3",2.916,4,1,8]
["E1245","Ro5-3335","h9","L8100-05","in 10mM DMSO","Others","Others","Ro5-3335 is an inhibitor of Core binding factor leukemia (CBF leukemia), by interacting with RUNX1 and CBFβ directly, repressing RUNX1/CBFB-dependent transactivation and runx1-dependent hematopoiesis.",259.69,"30195-30-3",{"v":52,"d":"52.00"},200.24,"<1","N/A","http://www.selleckchem.com/products/ro5-3335.html","C13H10ClN3O","Free base","N/A","ClC1=CC=C2NC(=O)CN=C(C3=CC=C[NH]3)C2=C1",{"v":2.35,"d":"2.350"},2,2,1]
["S7654","Defactinib (VS-6063)","a10","L8100-05","in 10mM DMSO","FAK","Angiogenesis","Defactinib (VS-6063, PF-04554878) is a selective, and orally active FAK inhibitor. Phase 2.",510.49,"1073154-85-4",{"v":100,"d":"100.00"},{"v":195.8,"d":"195.80"},"<1","N/A","http://selleckchem.com/products/defactinib.html","C20H21F3N8O3S","free base","PF-04554878","CNC(=O)C1=CC=C(NC2=NC(=C(C=N2)C(F)(F)F)NCC3=C(N=CC=N3)N(C)[S](C)(=O)=O)C=C1",1.774,7,3,9]
["S2000","Sodium orthovanadate","a2","L8100-06","in 10mM Water","ATPase","Transmembrane Transporters","Sodium orthovanadate is an alkaline phosphatase and (Na,K)-ATPase inhibitor with IC50 of 10 μM.",183.91,"13721-39-6","<1","N/A",{"v":36,"d":"36.00"},195.75,"http://selleckchem.com/products/Sodium-orthovanadate.html","Na3O4V","Sodium Salt","N/A","[Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O",-3.177,0,0,0]
["S3056","Miltefosine","b2","L8100-06","in 10mM Water","Akt","PI3K/Akt/mTOR","Miltefosine (Hexadecylphosphocholine) inhibits PI3K/Akt activity with ED50 of 17.2 μM and 8.1 μM in carcinoma cell lines A431 and HeLa, first oral drug for Visceral leishmaniasis, effective against both promastigotes and amastigotes.",407.57,"58066-85-6","<1","N/A",{"v":81,"d":"81.00"},198.74,"http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html","C21H46NO4P","free base","Hexadecylphosphocholine","CCCCCCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C",3.722,2,0,20]
["S3065","Amikacin disulfate","c2","L8100-06","in 10mM Water","Bacterial","Microbiology","Amikacin sulfate (BB-K8) binds to 16S rRNA (bacterial 30S ribosome), causing misreading of mRNA and supressing proteins synthesis.",781.76,"39831-55-5","<1","N/A",{"v":10,"d":"10.00"},12.79,"http://selleckchem.com/products/amikacin-sulfate.html","C22H43N5O13.2H2SO4","Sulfate","BB-K8","NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O.O[S](O)(=O)=O.O[S](O)(=O)=O",{"v":-9.64,"d":"-9.640"},5,13,10]
["S4180","Nefopam HCl","d2","L8100-06","in 10mM Water","Sodium Channel","Transmembrane Transporters","Nefopam HCl(Fenazoxine hydrochloride) is a centrally-acting but non-opioid analgesic drug by blocking voltage-gated sodium channel and inhibition of serotonin, dopamine and noradrenaline reuptake.",{"v":289.8,"d":"289.80"},"23327-57-3",{"v":1,"d":"1.00"},3.45,{"v":21,"d":"21.00"},72.46,"http://selleckchem.com/products/nefopam-hcl.html","C17H19NO.HCl","Hydrochloride","Fenazoxine hydrochloride","Cl.CN1CCOC(C2=CC=CC=C2)C3=C(C1)C=CC=C3",{"v":3.52,"d":"3.520"},1,0,1]
["S5115","Sodium L-ascorbyl-2-phosphate","e2","L8100-06","in 10mM Water","c-Met","Protein Tyrosine Kinase","Sodium L-ascorbyl-2-phosphate (Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate, SAP) is specifically produced for use as a stabilized source of vitamin C in cosmetic products. It is used in skin care recipes for UV protection, collagen production, as an antioxidant and for its skin lightening and brightening effects.  Sodium L-ascorbyl-2-phosphate (2-Phospho-L-ascorbic acid trisodium salt, L-Ascorbic acid 2-phosphate trisodium salt, Sodium ascorbyl phosphate, SAP) is a selective  antioxidant and a stimulator of hepatocyte growth factor (HGF) production.",322.05,"66170-10-3","<1","N/A",{"v":64,"d":"64.00"},198.73,"http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html","C6H6O9P.3Na","sodium salt","Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate","[Na+].[Na+].[Na+].OCC(O)C1OC(=O)C(=C1[O-])O[P]([O-])([O-])=O",{"v":-5.03,"d":"-5.030"},3,2,4]
["S5588","Creatine","f2","L8100-06","in 10mM Water","IFN,JAK","JAK/STAT","Creatine (Methylguanidoacetic acid) is a nitrogenous organic acid that occurs naturally in vertebrates. It facilitates the recycling of adenosine triphosphate (ATP) primarily in muscle and brain tissue.Creatine can inhibits the JAK-STAT1 signal transmission by inhibiting the interaction of IFN-γ receptors with JAK2 in an ATP-independent manner, thereby inhibiting downstream pro-inflammatory gene expression.",131.13,"57-00-1","<1","N/A",{"v":26,"d":"26.00"},198.28,"http://selleckchem.com/products/creatine.html","C4H9N3O2","free base","Methylguanidoacetic acid","CN(CC(O)=O)C(N)=N",-1.095,1,1,3]
["S7204","Fosbretabulin (Combretastatin A4 Phosphate (CA4P)) Disodium","g2","L8100-06","in 10mM Water","Apoptosis related,Microtubule Associated","Cytoskeletal Signaling","Fosbretabulin (Combretastatin A4 Phosphate, CA4P, CA 4DP) Disodium is the water-soluble prodrug of Combretastatin A4 (CA4), which is a microtubule-targeting agent that binds β-tubulin with Kd of 0.4 μM in a cell-free assay. Fosbretabulin Disodium inhibits the polymerization of tubulin with IC50 of 2.4 μM, and also disrupts tumor vasculature. Fosbretabulin disodium induces mitotic arrest and apoptosis in endothelial cells. Phase 3.",440.29,"168555-66-6","<1","N/A",{"v":28,"d":"28.00"},63.59,"http://selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-disodium-ca4p-disodium.html","C18H19O8P.2Na","Disodium salt","CA 4DP","[Na+].[Na+].COC1=C(O[P]([O-])([O-])=O)C=C(\\C=C/C2=CC(=C(OC)C(=C2)OC)OC)C=C1",1.077,5,0,8]
["P1017","Octreotide (SMS 201-995) acetate","h2","L8100-06","in 10mM Water","N/A","Neuronal Signaling","Octreotide (SMS 201-995) acetate is the acetate salt of a cyclic octapeptide. It is a long-acting octapeptide with pharmacologic properties mimicking those of the natural hormone somatostatin.","1019.28 (free base)","79517-01-4","N/A","N/A","N/A",{"v":10,"d":"10.00"},"http://selleckchem.com/products/octreotide-acetate.html","C49H66N10O10S2.xC2H4O2","Acetate","D-Phe-c[Cys-Phe-D-Trp-Lys-Thr-Cys]-Thr-ol","CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=C[NH]C5=C4C=CC=C5)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1",{"v":0,"d":"0.000"},0,0,0]
["S2441","Estramustine phosphate sodium","a3","L8100-06","in 10mM Water","Microtubule Associated","Cytoskeletal Signaling","Estramustine phosphate sodium (EMP, Emcyt, Estracyt) is an antitumour drug with a unique dual mode of action. Estrone and estradiol, products of the metabolism of estramustine phosphate sodium, have shown antigonadotrophic activity resulting in reduced testosterone levels. Estramustine(the cytotoxic metabolite produced by dephosphorylation of estramustine phosphate sodium) is an antiprostatic tumor drug with antimicrotubule effects.",564.35,"52205-73-9","<1","N/A",{"v":100,"d":"100.00"},{"v":177.2,"d":"177.20"},"http://www.selleck.cn/products/estramustine-phosphate-sodium.html","C23H30Cl2NNa2O6P","phosphate sodium","EMP, Emcyt, Estracyt","[Na+].[Na+].CC12CCC3C(CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl)C1CCC2O[P]([O-])([O-])=O",3.131,3,0,8]
["S9728","BSO (L-Buthionine-(S,R)-sulfoximine)","b3","L8100-06","in 10mM Water","γGCS","Metabolism","BSO (L-Buthionine-(S,R)-sulfoximine, L-Buthionine sulfoximine, l-BSO) is a cell-permeable, potent, fast acting and irreversible inhibitor of g-glutamylcysteine synthetase (γ-glutamylcysteine synthetase, γ-GCS) and depletes cellular glutathione levels. The IC50 of BSO on melanoma, breast and ovarian tumor specimens are 1.9 μM, 8.6 μM, and 29 μM, respectively.",222.31,"83730-53-4","<1","N/A",{"v":40,"d":"40.00"},179.93,"https://www.selleckchem.com/products/bso-l-buthionine-s-r-sulfoximine.html","C8H18N2O3S","Free Base","L-Buthionine sulfoximine, l-BSO","CCCC[S](=N)(=O)CCC(N)C(O)=O",{"v":-2.18,"d":"-2.180"},2,1,7]
["S8164","YAP-TEAD Inhibitor 1 (Peptide 17)","c3","L8100-06","in 10mM Water","TEAD,YAP","Hippo","YAP-TEAD Inhibitor 1 (Peptide 17) is a YAP-TEAD protein-protein interaction inhibitor which has potential usage in treatment of YAP-involved cancers with IC50 of 25 nM.",2019.86,"1659305-78-8","<1","N/A",{"v":100,"d":"100.00"},49.51,"http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html","C93H144ClN23O21S2","Free base","N/A","CCCCC1NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CCSSCC(NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C3CCCN3C1=O)C(=O)NC(CCCCN)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CCC(O)=O)C(N)=O)NC(=O)C(CC6=CC(=CC=C6)Cl)NC(=O)C7CCCN7C(=O)C(NC(C)=O)C(C)C",{"v":-4.13,"d":"-4.130"},19,19,40]
["S8554","Super-TDU","d3","L8100-06","in 10mM Water","TEAD,YAP","Hippo","Super-TDU is an inhibitory peptide targeting YAP-TEADs interaction.",5279.94,"1599441-71-0","<1","N/A",{"v":100,"d":"100.00"},18.94,"http://www.selleckchem.com/products/super-tdu.html","C237H370N66O69S","Free base","N/A","CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN=C[NH]4)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(NNC(CO)C=O)C(C)C)C(C)O)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CC(N)=O)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(C(C)C)C(=O)N6CCCC6C(=O)C(=O)C(CCC(N)=O)NNC(C(C)O)C(=O)NC(C(C)C)C(=O)N7CCCC7C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N8CCCC8C(=O)NC(CC(O)=O)C(=O)NC(CO)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CC%10=CC=CC=C%10)C(=O)NC(CCCCN)C(=O)N%11CCCC%11C(=O)N%12CCCC%12C(=O)NC(CCC(O)=O)C(N)=O",-30.939,58,64,173]
["S1046","Vandetanib (ZD6474)","a2","L8100-07","in 2mM DMSO","Apoptosis related,Autophagy,EGFR,ROS,VEGFR","Protein Tyrosine Kinase","Vandetanib (ZD6474) is a potent inhibitor of VEGFR2 with IC50 of 40 nM in a cell-free assay. It also inhibits VEGFR3 and EGFR with IC50 of 110 nM and 500 nM, respectively. Not sensitive to PDGFRβ, Flt1, Tie-2 and FGFR1 with IC50 of 1.1-3.6 μM. No activity against MEK, CDK2, c-Kit, erbB2, FAK, PDK1, Akt and IGF-1R with IC50 above 10 μM. Vandetanib (ZD6474) increases apoptosis and induces autophagy by increasing the level of reactive oxygen species (ROS).",475.35,"443913-73-3",{"v":4,"d":"4.00"},8.41,"<1","N/A","http://selleckchem.com/products/Vandetanib.html","C22H24BrFN4O2","free base","ZD6474","COC1=CC2=C(C=C1OCC3CCN(C)CC3)N=CN=C2NC4=C(F)C=C(Br)C=C4",5.087,4,1,6]
["S1837","Flubendazole","b2","L8100-07","in 2mM DMSO","Autophagy,Parasite","Autophagy","Flubendazole (Flumoxanal, NSC 313680) is an autophagy inducer by targeting Atg4B, used to treat internal parasite and worm infection.",313.28,"31430-15-6",{"v":3,"d":"3.00"},9.58,"<1","N/A","http://selleckchem.com/products/flubendazole-flutelmium.html","C16H12FN3O3","free base","Flumoxanal, NSC 313680","COC(=O)NC1=NC2=C([NH]1)C=C(C=C2)C(=O)C3=CC=C(F)C=C3",{"v":3.26,"d":"3.260"},4,2,4]
["S3721","Bilastine","c2","L8100-07","in 2mM DMSO","Histamine Receptor","Neuronal Signaling","Bilastine is a new, well-tolerated, nonsedating H1 receptor antihistamine and has a rapid onset and prolonged duration of action.",463.61,"202189-78-4",{"v":1,"d":"1.00"},2.16,"<1","N/A","http://selleckchem.com/products/bilastine.html","C28H37N3O3","free base","N/A","CCOCC[N]1C(=NC2=C1C=CC=C2)C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(O)=O",{"v":2.07,"d":"2.070"},3,0,10]
["S4218","Amoxapine","d2","L8100-07","in 2mM DMSO","Amino acid transporter,GlyT","Neuronal Signaling","Amoxapine (CL 67772,Asendin) is a tricyclic dibenzoxazepine (an N-aryl piperazine) which acts similarly to several other tricyclic antidepressants, amoxapine inhibits GLYT2a transport activity with IC50 of 92 μM.",313.78,"14028-44-5",{"v":3,"d":"3.00"},9.56,"<1","N/A","http://selleckchem.com/products/amoxapine.html","C17H16ClN3O","free base","CL 67772,Asendin","ClC1=CC2=C(OC3=C(C=CC=C3)N=C2N4CCNCC4)C=C1",{"v":0,"d":"0.000"},0,0,0]
["S8229","Brigatinib (AP26113)","e2","L8100-07","in 2mM DMSO","ALK,EGFR,FLT3,IGF-1R,ROS1","Angiogenesis","Brigatinib (AP26113) is a potent and selective ALK (IC50, 0.6 nM) and ROS1 (IC50, 0.9 nM) inhibitor. It also inhibits IGF-1R, FLT3, and mutant variants of FLT3 (D835Y) and EGFR with lower potentcy.",584.09,"1197953-54-0",{"v":3,"d":"3.00"},5.14,"<1","N/A","http://www.selleck.cn/products/brigatinib-ap26113.html","C29H39ClN7O2P","Free Base","N/A","COC1=C(NC2=NC(=C(Cl)C=N2)NC3=CC=CC=C3[P](C)(C)=O)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5",5.084,6,2,8]
["S8927","GSK2983559 (compound 3)","f2","L8100-07","in 2mM DMSO","RIP kinase","Apoptosis","GSK2983559 (compound 3, RIP2 kinase inhibitor 1, RIPK2-IN-1) is a potent inhibitor of receptor interacting protein 2 (RIP2) kinase with good kinase specificity.",538.53,"1579965-12-0",{"v":5,"d":"5.00"},9.28,"<1","N/A","http://www.selleck.cn/products/gsk2983559-compound-3.html","C21H23N4O7PS2","Free Base","RIP2 kinase inhibitor 1, RIPK2-IN-1","CC(C)(C)[S](=O)(=O)C1=CC2=C(NC3=CC=C4SC=NC4=C3)N=CN=C2C=C1OCCO[P](O)(O)=O",3.391,7,1,9]
["S6085","KY19382 (A3051)","g2","L8100-07","in 2mM DMSO","GSK-3,Wnt/beta-catenin","PI3K/Akt/mTOR","KY19382 (A3051) is a Wnt/β-catenin signalling activator through inhibitory effects on both CXXC5–DVL interaction and GSK3β activity with IC50s of 19 nM and 10 nM, respectively.",360.19,"2226664-93-1",{"v":2,"d":"2.00"},5.55,"<1",{"v":0,"d":"0.00"},"http://www.selleckchem.com/products/ky19382-a3051.html","C17H11Cl2N3O2","Free Base","N/A","CO\\N=C1/C(NC2=CC=CC=C12)=C\\3C(=O)NC4=CC(=C(Cl)C=C34)Cl",3.311,3,2,1]
["E0524","Spinosad","h2","L8100-07","in 2mM DMSO","AChR,Anti-infection","Neuronal Signaling","Spinosad, a mixture of spinosyns A and D known as fermentation products of a soil actinomycete, is a biological neurotoxic insecticide with a broader action spectrum, targeting the nicotinic acetylcholine receptor (nAChRs) of the insect nervous system.",731.96,"168316-95-8",{"v":3,"d":"3.00"},{"v":4.1,"d":"4.10"},"<1","N/A","http://www.selleckchem.com/products/spinosad.html","C41H65NO10","free base","N/A","NA","NA","NA","NA","NA"]
["S1346","Heparin sodium","a2","L8100-08","in 2mM Water","Autophagy,Factor Xa,Thrombin","Proteases","Heparin sodium, a sulfated polysaccharide belonging to the family of glycosaminoglycans, has numerous important biological activities associated with its interaction with diverse proteins. Heparin is used as an anticoagulant primarily through its interaction with AT III by enhancing AT-IIImediated inhibition of blood coagulation factors, including thrombin and factor Xa. Heparin prevents the induction of autophagy.","6000-20000","9041-08-1","<1","N/A",{"v":100,"d":"100.00"},{"v":8,"d":"8.00"},"http://selleckchem.com/products/Heparin-sodium.html","(C12H16NS2Na3)20","Sodium salt","N/A","CCC1CC(N[R])C(OC1CO[S]([O-])(=O)=O)OC2C(O)C(O)C(OC3C(CO[R])OC(OC4C(O)C(O[S]([O-])(=O)=O)C(OC5C(O)C(N[S]([O-])(=O)=O)C(C)OC5CO[S]([O-])(=O)=O)OC4C([O-])=O)C(N[S]([O-])(=O)=O)C3[S]([O-])(=O)=O)OC2C([O-])=O",-22.565,13,7,27]
["S8030","Plerixafor (AMD3100)","b2","L8100-08","in 2mM Water","CXCR,HIV","GPCR & G Protein","Plerixafor (AMD3100, JM 3100, SID791) is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM in cell-free assays, respectively. Plerixafor inhibits human immunodeficiency virus (HIV) replication.",502.78,"110078-46-1","<1","N/A",{"v":3,"d":"3.00"},5.97,"http://selleckchem.com/products/plerixafor.html","C28H54N8","Free Base","JM 3100, SID791","C1CNCCNCCCN(CCNC1)CC2=CC=C(CN3CCCNCCNCCCNCC3)C=C2",{"v":-0.52,"d":"-0.520"},0,6,4]