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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisomal carnitine O-octanoyltransferase' and Ligand = 'BDBM50284163'   
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
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
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)


Citation and Details
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
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)


Citation and Details
More data for this
Ligand-Target Pair