Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal acyl-coenzyme A oxidase 1' and Ligand = 'BDBM50156440'   

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)	BDBM50156440 ((R)-1-{2,2-Dimethyl-4-[3-(4-trifluoromethyl-phenyl...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(cc4)C(F)(F)F)CC3(C)C)ccc2s1 Show InChI InChI=1S/C27H30F3N5O3S/c1-17-31-22-12-21(8-9-23(22)39-17)37-15-20(36)13-35-11-10-34(16-26(35,2)3)14-24-32-25(33-38-24)18-4-6-19(7-5-18)27(28,29)30/h4-9,12,20,36H,10-11,13-16H2,1-3H3/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	9.70E+3	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
					More data for this Ligand-Target Pair