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BDBM50284163 (S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[1,3,6,2]dioxazaphosphocan-6-ium; bromide::CHEMBL170076

InChI string: 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

SMILES: CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1

InChI Key: InChIKey=CKDKKQUAOZZVAI-WOKNPCPGSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50284163   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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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)


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
Carnitine palmitoyltransferase 1A


(Rattus norvegicus)
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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Article
n/an/a 1.28E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Carnitine Palmitoyltransferase (CPT-II)


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

More data for this
Ligand-Target Pair
Carnitine palmitoyltransferase 1A


(Rattus norvegicus)
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
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/a 3.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Carnitine Palmitoyltransferase (CPT-II)


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

More data for this
Ligand-Target Pair