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BDBM50101591 CHEMBL105377::CHEMBL308869::R-[3-Carboxy-2-(undecane-1-sulfamoylamino)-propyl]-trimethyl-ammonium::[3-Carboxy-2-(undecylaminosulphonyl-amino)-propyl]-trimethyl-ammonium

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

InChI Key: InChIKey=KRDBOYJVOTWQAT-QGZVFWFLSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50101591   
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 1A


(Rattus norvegicus)
BDBM50101591
PNG
(CHEMBL105377 | CHEMBL308869 | R-[3-Carboxy-2-(unde...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 800n/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


J Med Chem 44: 2383-6 (2001)

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


(Rattus norvegicus)
BDBM50101591
PNG
(CHEMBL105377 | CHEMBL308869 | R-[3-Carboxy-2-(unde...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/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)


Article DOI: 10.1021/jm020979u
More data for this
Ligand-Target Pair
Carnitine palmitoyltransferase 1B


(Rattus norvegicus)
BDBM50101591
PNG
(CHEMBL105377 | CHEMBL308869 | R-[3-Carboxy-2-(unde...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m1/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+3n/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)


Article DOI: 10.1021/jm020979u
More data for this
Ligand-Target Pair
Carnitine palmitoyltransferase 1B


(Rattus norvegicus)
BDBM50101591
PNG
(CHEMBL105377 | CHEMBL308869 | R-[3-Carboxy-2-(unde...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m1/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.80E+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


J Med Chem 44: 2383-6 (2001)

More data for this
Ligand-Target Pair