Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50308866'   

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))	BDBM50308866 (3-Chloro-N-[3-(4-dimethylaminomethyl-phenylcarbamo...) Show SMILES COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C25H26ClN3O3/c1-29(2)16-17-7-10-21(11-8-17)28-25(31)19-6-4-5-18(13-19)15-27-24(30)20-9-12-23(32-3)22(26)14-20/h4-14H,15-16H2,1-3H3,(H,27,30)(H,28,31)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by LCMS/MS assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair