Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50098214'
TargetProthrombin(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098214(2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-yl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C42H46Cl2F2N10O3/c43-32-5-3-6-33(44)31(32)25-56-24-28(23-55-17-1-2-18-55)30-10-9-29(21-38(30)56)52-42(59)54-37(20-27-8-11-34(45)35(46)19-27)40(58)53-36(7-4-14-50-41(47)48)39(57)51-22-26-12-15-49-16-13-26/h3,5-6,8-13,15-16,19,21,24,36-37H,1-2,4,7,14,17-18,20,22-23,25H2,(H,51,57)(H,53,58)(H4,47,48,50)(H2,52,54,59)/t36-,37-/m0/s1
Affinity DataIC50: 1.06E+3nMAssay Description:In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.More data for this Ligand-Target Pair