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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 = 'BDBM50138611'   
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)
BDBM50138611
PNG
(CHEMBL150614 | N-(9-Ethyl-9H-carbazol-3-yl)-2-{4-[...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12
Show InChI InChI=1S/C31H35N5O3S/c1-3-36-28-7-5-4-6-25(28)26-16-22(8-10-29(26)36)33-31(38)19-35-14-12-34(13-15-35)18-23(37)20-39-24-9-11-30-27(17-24)32-21(2)40-30/h4-11,16-17,23,37H,3,12-15,18-20H2,1-2H3,(H,33,38)/t23-/m1/s1
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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