Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50327472'   

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))	BDBM50327472 (2-(cyclopropylmethyl)-8-(1-isopropylpiperidin-4-yl...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CC4CC4)C(=O)c3cc2c1 Show InChI InChI=1S/C23H31N3O2/c1-16(2)24-9-7-19(8-10-24)28-20-5-6-21-18(13-20)14-22-23(27)25(11-12-26(21)22)15-17-3-4-17/h5-6,13-14,16-17,19H,3-4,7-12,15H2,1-2H3	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
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N
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