Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50098211'
TargetProthrombin(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098211((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
Affinity DataIC50: 900nMAssay Description:In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.More data for this Ligand-Target Pair