Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50123767'   

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))	BDBM50123767 (4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...) Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards thrombin				J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH
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