Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM113719'   

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))	BDBM113719 (US8637507, C-3) Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H29N3O5/c1-4-21-16-30(26(33)29-20-8-6-5-7-9-20)22-12-10-18(14-23(22)35-21)19-11-13-24(28-15-19)34-17-27(2,3)25(31)32/h5-15,21H,4,16-17H2,1-3H3,(H,29,33)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 5: 544-9 (2014) Article DOI: 10.1021/ml400527n BindingDB Entry DOI: 10.7270/Q2KS6T3C
					More data for this Ligand-Target Pair