Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50080929'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50080929 (2-((R)-2-benzyl-3,6-dioxo-4-(3-phenylpropyl)pipera...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O)C(=O)c1nccs1 Show InChI InChI=1S/C31H37N7O4S/c32-31(33)35-15-7-14-24(28(41)29-34-16-18-43-29)36-26(39)20-38-25(19-23-11-5-2-6-12-23)30(42)37(21-27(38)40)17-8-13-22-9-3-1-4-10-22/h1-6,9-12,16,18,24-25H,7-8,13-15,17,19-21H2,(H,36,39)(H4,32,33,35)/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080929 (2-((R)-2-benzyl-3,6-dioxo-4-(3-phenylpropyl)pipera...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O)C(=O)c1nccs1 Show InChI InChI=1S/C31H37N7O4S/c32-31(33)35-15-7-14-24(28(41)29-34-16-18-43-29)36-26(39)20-38-25(19-23-11-5-2-6-12-23)30(42)37(21-27(38)40)17-8-13-22-9-3-1-4-10-22/h1-6,9-12,16,18,24-25H,7-8,13-15,17,19-21H2,(H,36,39)(H4,32,33,35)/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against thrombin was determined				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair