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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisomal carnitine O-octanoyltransferase'   
Target
(Institution)
LigandTarget
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
Peroxisomal carnitine O-octanoyltransferase


(Homo sapiens)
BDBM50284163
PNG
((S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[...)
Show SMILES CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1
Show InChI InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23?,28-/m0/s1
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n/an/a 4.75E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against carnitine octanoyltransferase (COT)


Bioorg Med Chem Lett 4: 883-886 (1994)

More data for this
Ligand-Target Pair
Peroxisomal carnitine O-octanoyltransferase


(Homo sapiens)
BDBM50284163
PNG
((S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[...)
Show SMILES CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1
Show InChI InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23?,28-/m0/s1
PDB
MMDB

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Article
n/an/a 9.12E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against carnitine octanoyltransferase (COT)


Bioorg Med Chem Lett 4: 883-886 (1994)

More data for this
Ligand-Target Pair
Peroxisomal carnitine O-octanoyltransferase


(Homo sapiens)
BDBM50284164
PNG
((S)-2-Hexadecyl-2-hydroxy-4,4-dimethyl-morpholin-4...)
Show SMILES CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1
PDB
MMDB

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Similars

AffyNet 
Article
n/an/a 4.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against carnitine octanoyltransferase (COT); Range = 1300-4000 microM


Bioorg Med Chem Lett 4: 883-886 (1994)

More data for this
Ligand-Target Pair