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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 = 'BDBM50138598'   
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)
BDBM50138598
PNG
(CHEMBL153741 | N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1
Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(11-12-28(27)37-21)36-20-25(34)18-32-13-15-33(16-14-32)19-29(35)31-24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-12,17,25,34H,13-16,18-20H2,1H3,(H,31,35)/t25-/m1/s1
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n/an/a 460n/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