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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Palmitoyl-CoA oxidase' and Ligand = 'BDBM50138609'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50138609
PNG
(CHEMBL155284 | N-[1-((S)-4-Fluoro-phenyl)-ethyl]-2...)
Show SMILES C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O3S/c1-17(19-3-5-20(26)6-4-19)27-25(32)15-30-11-9-29(10-12-30)14-21(31)16-33-22-7-8-24-23(13-22)28-18(2)34-24/h3-8,13,17,21,31H,9-12,14-16H2,1-2H3,(H,27,32)/t17-,21+/m0/s1
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PC sid
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n/an/a 710n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair