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BDBM50009834 2-Propylvaleric acid sodium salt::CHEMBL433::Depakene::Depakote::Divalproex::Divalproex sodium::Epilim::VALPROATE SODIUM::sodium 2-propylpentanoate::sodium valproate

SMILES: CCCC(CCC)C([O-])=O

InChI Key: InChIKey=NIJJYAXOARWZEE-UHFFFAOYSA-M

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50009834   
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
Histone deacetylase HD2


(Zea mays)
BDBM50009834
PNG
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)
Show SMILES CCCC(CCC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
KEGG

UniProtKB/TrEMBL

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required for inhibition of histone deacetylase HD2 in vitro.


J Med Chem 47: 1098-109 (2004)

Checked by Author
More data for this
Ligand-Target Pair
Histone deacetylase HD2


(Zea mays)
BDBM50009834
PNG
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)
Show SMILES CCCC(CCC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
KEGG

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)

More data for this
Ligand-Target Pair
Aldehyde reductase


(Sus scrofa)
BDBM50009834
PNG
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)
Show SMILES CCCC(CCC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 8.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values


J Med Chem 34: 1011-8 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009834
PNG
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)
Show SMILES CCCC(CCC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.80E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate


J Med Chem 34: 1011-8 (1991)

Checked by Author
More data for this
Ligand-Target Pair