Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C8' and Ligand = 'BDBM50042700'   

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))	BDBM50042700 (CHEMBL3353881) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cc2)C(F)(F)F)on1 |r| Show InChI InChI=1S/C19H20F3N3O3/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
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