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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 249.4
BDBM50260109

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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 O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50260109
PNG
(CHEMBL4077250)
Show SMILES C(C(C1CCCC1)C1CCCC1)C1CCCCN1
Show InChI InChI=1S/C17H31N/c1-2-8-14(7-1)17(15-9-3-4-10-15)13-16-11-5-6-12-18-16/h14-18H,1-13H2
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K.

Curated by ChEMBL


Assay Description
Inhibition of rat heart mitochondrial CPT-1


J Med Chem 60: 2780-2789 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01592
BindingDB Entry DOI: 10.7270/Q20867SV
More data for this
Ligand-Target Pair