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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50006227   
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)
BDBM50046145
PNG
(2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...)
Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1
Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1
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UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase I activity in intact mitochondria from rat heart


J Med Chem 36: 237-42 (1993)


BindingDB Entry DOI: 10.7270/Q2P849ZC
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50046145
PNG
(2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...)
Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1
Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase I activity in intact mitochondria from rat liver


J Med Chem 36: 237-42 (1993)


BindingDB Entry DOI: 10.7270/Q2P849ZC
More data for this
Ligand-Target Pair