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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 = 'BDBM50138623'   
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)
BDBM50138623
PNG
(CHEMBL357278 | N-(4-Chloro-3-trifluoromethyl-pheny...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)CC3)ccc2s1
Show InChI InChI=1S/C24H26ClF3N4O3S/c1-15-29-21-11-18(3-5-22(21)36-15)35-14-17(33)12-31-6-8-32(9-7-31)13-23(34)30-16-2-4-20(25)19(10-16)24(26,27)28/h2-5,10-11,17,33H,6-9,12-14H2,1H3,(H,30,34)/t17-/m1/s1
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PC cid
PC sid
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PubMed
n/an/a 4.00E+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