Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50156420'   

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)	BDBM50156420 (3-(3-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4cccc(c4)C#N)CC3)ccc2s1 Show InChI InChI=1S/C25H26N6O3S/c1-17-27-22-12-21(5-6-23(22)35-17)33-16-20(32)14-30-7-9-31(10-8-30)15-24-28-25(34-29-24)19-4-2-3-18(11-19)13-26/h2-6,11-12,20,32H,7-10,14-16H2,1H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria				Bioorg Med Chem Lett 14: 6017-21 (2004) Article DOI: 10.1016/j.bmcl.2004.09.077 BindingDB Entry DOI: 10.7270/Q2ZS2W0R
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