Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50122184'   

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))	BDBM50122184 (CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-o...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O4S/c1-16-10-11-20(25-31(29,30)15-17-6-3-2-4-7-17)22(28)26(16)14-21(27)24-13-18-8-5-9-19(23)12-18/h2-12,25H,13-15H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin in human plasma				Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122184 (CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-o...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O4S/c1-16-10-11-20(25-31(29,30)15-17-6-3-2-4-7-17)22(28)26(16)14-21(27)24-13-18-8-5-9-19(23)12-18/h2-12,25H,13-15H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory potency against human thrombin				J Med Chem 47: 2995-3008 (2004) Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50122184 (CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-o...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O4S/c1-16-10-11-20(25-31(29,30)15-17-6-3-2-4-7-17)22(28)26(16)14-21(27)24-13-18-8-5-9-19(23)12-18/h2-12,25H,13-15H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant evaluated against thrombin (Factor IIa)				Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119
					More data for this Ligand-Target Pair