Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50400890'   

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))	BDBM50400890 (CHEMBL2204356) Show SMILES Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl Show InChI InChI=1S/C16H16Cl2N2S/c17-12-4-3-7-15(16(12)18)21-14-6-2-1-5-13(14)20-10-8-19-9-11-20/h1-7,19H,8-11H2	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	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysis				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair