Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50418602'   

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))	BDBM50418602 (CHEMBL1784168) Show SMILES Cc1c(F)cc(cc1-c1ccc(cc1)C(=O)NCC1CCCO1)C(=O)NC1CC1 Show InChI InChI=1S/C23H25FN2O3/c1-14-20(11-17(12-21(14)24)23(28)26-18-8-9-18)15-4-6-16(7-5-15)22(27)25-13-19-3-2-10-29-19/h4-7,11-12,18-19H,2-3,8-10,13H2,1H3,(H,25,27)(H,26,28)	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	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in Escherichia coli by fluorimetric assay				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
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