Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carnitine O-palmitoyltransferase 1, liver isoform' and Ligand = 'BDBM50403039'   

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
Carnitine O-palmitoyltransferase 1, liver isoform (Homo sapiens (Human))	BDBM50403039 (CHEMBL2216778) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O Show InChI InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT1A				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
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