Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50385812'   

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))	BDBM50385812 (CHEMBL2043011) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C31H28N6O5/c1-20-3-2-14-32-25(20)18-35-15-12-31(13-16-35)29(41)36(30(42)37(31)26-17-27(38)34-19-33-26)24-10-8-22(9-11-24)21-4-6-23(7-5-21)28(39)40/h2-11,14,17,19H,12-13,15-16,18H2,1H3,(H,39,40)(H,33,34,38)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair