Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50079241'   

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))	BDBM50079241 (5-Benzyl-3-(3-carbamimidoyl-phenyl)-4,5-dihydro-is...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cc2ccccc2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C30H27N5O4S/c31-28(32)23-10-6-9-22(17-23)26-19-30(39-35-26,18-20-7-2-1-3-8-20)29(36)34-24-15-13-21(14-16-24)25-11-4-5-12-27(25)40(33,37)38/h1-17H,18-19H2,(H3,31,32)(H,34,36)(H2,33,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
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