Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50301830'   

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))	BDBM50301830 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3-(t...) Show SMILES CC1(CC(=O)NCc2cccc(c2)C(F)(F)F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO3/c1-17(13-18(26-25-17)8-3-2-4-9-18)11-16(24)23-12-14-6-5-7-15(10-14)19(20,21)22/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
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