Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50418555'   

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))	BDBM50418555 (CHEMBL1386228) Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 Show InChI InChI=1S/C16H17NO5S/c1-11-4-5-12(16(18)22-3)10-15(11)17-23(19,20)14-8-6-13(21-2)7-9-14/h4-10,17H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
Elara Pharmaceuticals GmbH Curated by ChEMBL					Assay Description Inhibition of CYP2C9 after 30 mins by luminescence assay				J Med Chem 54: 3982-6 (2011) Article DOI: 10.1021/jm200272h BindingDB Entry DOI: 10.7270/Q22808VH
					More data for this Ligand-Target Pair