Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50138625'   

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)	BDBM50138625 (2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O4S/c1-21-30-27-17-26(11-12-28(27)38-21)36-20-23(34)18-32-13-15-33(16-14-32)19-29(35)31-22-7-9-25(10-8-22)37-24-5-3-2-4-6-24/h2-12,17,23,34H,13-16,18-20H2,1H3,(H,31,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	330	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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