Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50418553'   

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))	BDBM50418553 (CHEMBL1784701) Show SMILES COC(=O)c1ccc2OCCN(c2c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H17NO5S/c1-12-3-6-14(7-4-12)24(20,21)18-9-10-23-16-8-5-13(11-15(16)18)17(19)22-2/h3-8,11H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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