Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50123492'   

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))	BDBM50123492 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...) Show SMILES Fc1cccnc1CNC(=O)Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O Show InChI InChI=1S/C19H17F3N6O2/c20-13-4-3-7-23-14(13)10-26-16(29)11-28-9-8-25-17(18(28)30)27-12-19(21,22)15-5-1-2-6-24-15/h1-9H,10-12H2,(H,25,27)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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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