Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50138623'   

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
Peroxisomal acyl-coenzyme A oxidase 1 (Rattus norvegicus)	BDBM50138623 (CHEMBL357278 | N-(4-Chloro-3-trifluoromethyl-pheny...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C24H26ClF3N4O3S/c1-15-29-21-11-18(3-5-22(21)36-15)35-14-17(33)12-31-6-8-32(9-7-31)13-23(34)30-16-2-4-20(25)19(10-16)24(26,27)28/h2-5,10-11,17,33H,6-9,12-14H2,1H3,(H,30,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation.				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
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