Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50396034'   

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))	BDBM50396034 (CHEMBL586213 | TCMDC-139046) Show SMILES COc1cc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H17F6N3O3/c1-34-20-9-13-4-6-32(19(13)11-18(20)22(24,25)26)21(33)31-16-7-15(14-3-2-5-30-12-14)8-17(10-16)35-23(27,28)29/h2-3,5,7-12H,4,6H2,1H3,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 using 7-methoxy-4-triflouromethylcoumarin-3-acetic acid as substrate incubated for 30 mins prior to substrate addition mea...				ACS Med Chem Lett 3: 373-377 (2012) Article DOI: 10.1021/ml300008j BindingDB Entry DOI: 10.7270/Q2PZ59X6
					More data for this Ligand-Target Pair