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SMILES: CC(C)(C)CC(O)CC([O-])=O

InChI Key: InChIKey=PHACRADGRHURFF-UHFFFAOYSA-M

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50037261   
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 O-palmitoyltransferase 2, mitochondrial


(Rattus norvegicus)
BDBM50037261
PNG
(3-Hydroxy-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)CC(O)CC([O-])=O
Show InChI InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
2.80E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 2


J Med Chem 37: 3247-51 (1994)


BindingDB Entry DOI: 10.7270/Q2VM4CXR
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50037261
PNG
(3-Hydroxy-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)CC(O)CC([O-])=O
Show InChI InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/p-1
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UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
3.60E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 1


J Med Chem 37: 3247-51 (1994)


BindingDB Entry DOI: 10.7270/Q2VM4CXR
More data for this
Ligand-Target Pair
Carnitine O-acetyltransferase


(Homo sapiens (Human))
BDBM50037261
PNG
(3-Hydroxy-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)CC(O)CC([O-])=O
Show InChI InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
8.30E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)


BindingDB Entry DOI: 10.7270/Q2VM4CXR
More data for this
Ligand-Target Pair