Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50337455'   

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))	BDBM50337455 (CHEMBL1682694 | N-(3-chlorobenzyl)-2-(6-methyl-2-o...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C21H22ClN5O2/c1-15-12-26-20(24-10-8-18-7-2-3-9-23-18)21(29)27(15)14-19(28)25-13-16-5-4-6-17(22)11-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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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