Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50073551'   

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))	BDBM50073551 (CHEMBL3408955) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6[C@@H](C)CN(C)C[C@H]6C)cc5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C34H37N5O2/c1-21-18-38(3)19-22(2)39(21)20-24-7-5-23(6-8-24)9-13-30-27-12-10-25(15-32(27)37-36-30)29-17-34(29)28-16-26(41-4)11-14-31(28)35-33(34)40/h5-16,21-22,29H,17-20H2,1-4H3,(H,35,40)(H,36,37)/b13-9+/t21-,22+,29-,34-/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	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2M0475V
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