Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C8' and Ligand = 'BDBM50113476'   

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))	BDBM50113476 (CHEMBL3603923 | US10246432, Example 17 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
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