Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50337468'   

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))	BDBM50337468 (2-(2-(5-chloro-4-(2-(2,5-dichlorobenzylamino)-2-ox...) Show SMILES [O-][n+]1ccccc1CCNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2Cl)c1=O Show InChI InChI=1S/C20H18Cl3N5O3/c21-14-4-5-16(22)13(9-14)10-25-18(29)12-27-17(23)11-26-19(20(27)30)24-7-6-15-3-1-2-8-28(15)31/h1-5,8-9,11H,6-7,10,12H2,(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 21: 1532-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.108 BindingDB Entry DOI: 10.7270/Q2ZS2WS2
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