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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 = 'BDBM50138601'   
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)
BDBM50138601
PNG
(CHEMBL153122 | N-Cyclohexylmethyl-2-{4-[(R)-2-hydr...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCC4CCCCC4)CC3)ccc2s1
Show InChI InChI=1S/C24H36N4O3S/c1-18-26-22-13-21(7-8-23(22)32-18)31-17-20(29)15-27-9-11-28(12-10-27)16-24(30)25-14-19-5-3-2-4-6-19/h7-8,13,19-20,29H,2-6,9-12,14-17H2,1H3,(H,25,30)/t20-/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 5.10E+3n/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