Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50055993'   

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))	BDBM50055993 (CHEMBL3325843) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F Show InChI InChI=1S/C20H25FN4O6S/c1-12(2)29-20(26)25-9-7-14(8-10-25)30-18-17(21)19(23-11-22-18)31-15-5-6-16(24-13(15)3)32(4,27)28/h5-6,11-12,14H,7-10H2,1-4H3	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 24: 4332-5 (2014) Article DOI: 10.1016/j.bmcl.2014.06.071 BindingDB Entry DOI: 10.7270/Q2C82BZ7
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