Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C8' and Ligand = 'BDBM254332'   

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))	BDBM254332 (US10112937, Example 235 | US10150765, Example 235 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H16ClF3N6O/c1-10-6-8-24-18(25-10)29-14-7-9-28(11(2)16(14)26-27-29)17(30)12-4-3-5-13(15(12)20)19(21,22)23/h3-6,8,11H,7,9H2,1-2H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 15 mins by LC-MS/MS analysis				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
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