Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50079237'   

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))	BDBM50079237 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-4,5-d...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(C1)(C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F |t:10| Show InChI InChI=1S/C24H20F3N5O4S/c25-24(26,27)23(13-19(32-36-23)15-4-3-5-16(12-15)21(28)29)22(33)31-17-10-8-14(9-11-17)18-6-1-2-7-20(18)37(30,34)35/h1-12H,13H2,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+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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