Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50268742'   

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))	BDBM50268742 (CHEMBL523752 | N-(2-ethyl-6-methylbenzyl)-2,3-dime...) Show SMILES CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 Show InChI InChI=1S/C19H23N3/c1-5-16-9-6-8-13(2)17(16)12-20-18-10-7-11-22-15(4)14(3)21-19(18)22/h6-11,20H,5,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair