Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50138612'   

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)	BDBM50138612 (2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...) Show SMILES C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1cccc2ccccc12 Show InChI InChI=1S/C29H34N4O3S/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)30-29(35)18-33-14-12-32(13-15-33)17-23(34)19-36-24-10-11-28-27(16-24)31-21(2)37-28/h3-11,16,20,23,34H,12-15,17-19H2,1-2H3,(H,30,35)/t20-,23+/m0/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	8.50E+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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