Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50263726'   

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))	BDBM50263726 (4-Fluoro-N-{[(5-methyl-6-oxo-6,11-dihydro-5H-diben...) Show SMILES CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C25H22FN3O3/c1-29-22-9-5-4-7-19(22)21(18-6-2-3-8-20(18)25(29)32)14-27-23(30)15-28-24(31)16-10-12-17(26)13-11-16/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
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