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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: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 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
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Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



Sapienza University of Rome

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
Article DOI: 10.1021/jm030990+
BindingDB Entry DOI: 10.7270/Q24X5773
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
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Article
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
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
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
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...


J Med Chem 60: 1817-1828 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01507
BindingDB Entry DOI: 10.7270/Q2VM4FJN
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
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CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
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
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...


J Med Chem 60: 1817-1828 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01507
BindingDB Entry DOI: 10.7270/Q2VM4FJN
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
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CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
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
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair