BindingDB logo
myBDB logout

BDBM50101598 CHEMBL307495::[3-Carboxy-2-(dodecane-1-sulfonylamino)-propyl]-trimethyl-ammonium

SMILES: CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

InChI Key: InChIKey=MTWKPLOOPDPZCJ-GOSISDBHSA-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 = 50101598   
Target/Host
(Institution)
LigandTarget/Host
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
Carnitine palmitoyltransferase 1B


(Rattus norvegicus)
BDBM50101598
PNG
(CHEMBL307495 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m1/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


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


(Rattus norvegicus)
BDBM50101598
PNG
(CHEMBL307495 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-palmitoyl-CoA and carnitine binding to carnitine palmitoyltransferase I from rat liver mitochondria


J Med Chem 46: 303-9 (2003)

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


(Rattus norvegicus)
BDBM50101598
PNG
(CHEMBL307495 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m1/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]-palmitoyl-CoA and carnitine binding to carnitine palmitoyltransferase I of rat heart mitochondria


J Med Chem 46: 303-9 (2003)

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


(Rattus norvegicus)
BDBM50101598
PNG
(CHEMBL307495 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


Citation and Details
More data for this
Ligand-Target Pair