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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase HD2 (Zea mays) | BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a | n/a | n/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 Article DOI: 10.1021/jm030990+ BindingDB Entry DOI: 10.7270/Q24X5773 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2NK3FMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a | n/a | n/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) 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 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2NK3FMZ | |||||||||||
More data for this Ligand-Target Pair |