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BDBM50118886 4-Amino-hex-5-enoic acid::CHEMBL89598::VIGABATRIN

SMILES: NC(CCC(O)=O)C=C

InChI Key: InChIKey=PJDFLNIOAUIZSL-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50118886   
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
Gamma-amino-N-butyrate transaminase


(Homo sapiens)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | VIGABATRI...)
Show SMILES NC(CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
PDB
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PubMed
8.50E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration dependent inactivation of Gamma-amino-N-butyrate transaminase


J Med Chem 45: 4531-9 (2002)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | VIGABATRI...)
Show SMILES NC(CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
PDB
MMDB

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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
3.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inactivation of GABA-AT


J Med Chem 55: 357-66 (2012)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Sus scrofa)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | VIGABATRI...)
Show SMILES NC(CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
PDB
MMDB

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CHEMBL
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UniChem

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Article
PubMed
3.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Tested for inhibitory activity of the compound against gamma-aminobutyric acid aminotransferase from pig brain


J Med Chem 46: 5292-3 (2003)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Rattus norvegicus)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | VIGABATRI...)
Show SMILES NC(CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
PDB
MMDB

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PC sid
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Article
PubMed
1.00E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat GABA aminotransferase by modified Scott and Jacoby method


Bioorg Med Chem 20: 5763-73 (2012)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Rattus norvegicus)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | VIGABATRI...)
Show SMILES NC(CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inactivation of GABA-AT in rat brain homogenate


J Med Chem 55: 357-66 (2012)

More data for this
Ligand-Target Pair