Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50337460'   

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))	BDBM50337460 (CHEMBL1682699 | N-(2-cyano-5-methylbenzyl)-2-(6-me...) Show SMILES Cc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1 Show InChI InChI=1S/C23H24N6O2/c1-16-6-7-18(12-24)19(11-16)14-27-21(30)15-29-17(2)13-28-22(23(29)31)26-10-8-20-5-3-4-9-25-20/h3-7,9,11,13H,8,10,14-15H2,1-2H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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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