Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50380416'   

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))	BDBM50380416 (CHEMBL2018482) Show SMILES Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](CN3C(=O)Cc3cnc[nH]3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C28H25FN4O3/c29-21-6-10-24(11-7-21)36-25-12-8-22(9-13-25)32-28(35)26-14-20(19-4-2-1-3-5-19)17-33(26)27(34)15-23-16-30-18-31-23/h1-13,16,18,20,26H,14-15,17H2,(H,30,31)(H,32,35)/t20-,26+/m1/s1	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	213	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 using tolbutamide as substrate by LC/MS/MS analysis				J Med Chem 55: 1368-81 (2012) Article DOI: 10.1021/jm201533b BindingDB Entry DOI: 10.7270/Q2416Z1H
					More data for this Ligand-Target Pair