Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50156418'   

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)	BDBM50156418 ((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[2-(4-t...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4coc(n4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C26H27F3N4O3S/c1-17-30-23-12-22(6-7-24(23)37-17)35-16-21(34)14-33-10-8-32(9-11-33)13-20-15-36-25(31-20)18-2-4-19(5-3-18)26(27,28)29/h2-7,12,15,21,34H,8-11,13-14,16H2,1H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+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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