Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50123482'   

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))	BDBM50123482 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H25N5O2/c1-16-13-26-21(24-12-10-18-7-4-3-5-8-18)22(29)27(16)15-20(28)25-14-19-9-6-11-23-17(19)2/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
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