Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50301735'   

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))	BDBM50301735 (1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...) Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
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