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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carnitine palmitoyltransferase 1B' and Ligand = 'BDBM50101598'   
Target/Host
(Institution)
LigandTarget/Host
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
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
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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


J Med Chem 44: 2383-6 (2001)

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
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)


Article DOI: 10.1021/jm020979u
More data for this
Ligand-Target Pair