Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50226629'   

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))	BDBM50226629 (CHEMBL266647 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...) Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C30H42Cl2N4O2/c1-21(2)18-27(33-29(37)12-13-34(4)5)26-20-25(32)10-11-28(26)35-14-16-36(17-15-35)30(38)22(3)19-23-6-8-24(31)9-7-23/h6-11,20-22,27H,12-19H2,1-5H3,(H,33,37)/t22-,27+/m1/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
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
					More data for this Ligand-Target Pair