Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50224109'   

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))	BDBM50224109 (1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3	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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9 by fluorescence inhibition assay				J Med Chem 50: 5382-91 (2007) Article DOI: 10.1021/jm070745g BindingDB Entry DOI: 10.7270/Q2TB16MF
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