Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50319242'   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319242 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)pr...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cnn(c1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
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