Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C8' and Ligand = 'BDBM50131699'   

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 2C8 (Homo sapiens (Human))	BDBM50131699 (CHEMBL3633321) Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 Show InChI InChI=1S/C15H16Cl2N6O3/c16-12-2-1-11(7-13(12)17)8-20-3-5-21(6-4-20)14(24)9-22-10-18-15(19-22)23(25)26/h1-2,7,10H,3-6,8-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NorthShore University HealthSystem Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human Liver microsomes after 5 mins by LC-MS/MS method				Eur J Med Chem 103: 325-34 (2015) Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN
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