Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50157332'   

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))	BDBM50157332 (3-[4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CCOC(=O)CCc1cnccc1N1CCC(COc2ccc3CCN(Cc3c2)C(N)=N)CC1 Show InChI InChI=1S/C26H35N5O3/c1-2-33-25(32)6-4-21-16-29-11-7-24(21)30-12-8-19(9-13-30)18-34-23-5-3-20-10-14-31(26(27)28)17-22(20)15-23/h3,5,7,11,15-16,19H,2,4,6,8-10,12-14,17-18H2,1H3,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
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