Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50296171'   

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))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
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