Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50359617'   

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))	BDBM50359617 (CHEMBL1928243) Show SMILES CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F6NO2/c1-25(2,3)16-23(34-12-10-20(11-13-34)27(31,32)33)21-9-4-17(15-24(35)36)14-22(21)18-5-7-19(8-6-18)26(28,29)30/h4-9,14,20,23H,10-13,15-16H2,1-3H3,(H,35,36)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 21: 7277-80 (2011) Article DOI: 10.1016/j.bmcl.2011.10.047 BindingDB Entry DOI: 10.7270/Q2P55NZV
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