Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50435766'   

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))	BDBM50435766 (CHEMBL2393173) Show SMILES O[C@H]1CCC[C@@H](C1)NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C19H24N4O4S/c24-17-5-1-4-16(11-17)23-28(26,27)18-8-6-15(7-9-18)22-19(25)21-13-14-3-2-10-20-12-14/h2-3,6-10,12,16-17,23-24H,1,4-5,11,13H2,(H2,21,22,25)/t16-,17-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem Lett 23: 3531-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.040 BindingDB Entry DOI: 10.7270/Q2DJ5H1D
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