Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50138597'   

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)	BDBM50138597 (2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NC4Cc5ccccc5C4)CC3)ccc2s1 Show InChI InChI=1S/C26H32N4O3S/c1-18-27-24-14-23(6-7-25(24)34-18)33-17-22(31)15-29-8-10-30(11-9-29)16-26(32)28-21-12-19-4-2-3-5-20(19)13-21/h2-7,14,21-22,31H,8-13,15-17H2,1H3,(H,28,32)/t22-/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	3.00E+4	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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