Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50125241'   

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))	BDBM50125241 (3-(3-Amino-4-chloro-phenyl)-5-(phenylmethanesulfon...) Show SMILES Nc1cc(ccc1Cl)C1=NOC(CNS(=O)(=O)Cc2ccccc2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |t:9| Show InChI InChI=1S/C29H27ClN6O6S2/c30-23-12-10-20(14-24(23)31)25-15-29(42-36-25,18-34-43(38,39)17-19-6-2-1-3-7-19)28(37)35-27-13-11-21(16-33-27)22-8-4-5-9-26(22)44(32,40)41/h1-14,16,34H,15,17-18,31H2,(H2,32,40,41)(H,33,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
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