Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50337458'   

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))	BDBM50337458 (CHEMBL1682697 | N-(5-chloro-2-methylbenzyl)-2-(6-m...) Show SMILES Cc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O Show InChI InChI=1S/C22H24ClN5O2/c1-15-6-7-18(23)11-17(15)13-26-20(29)14-28-16(2)12-27-21(22(28)30)25-10-8-19-5-3-4-9-24-19/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,27)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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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