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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Gamma-amino-N-butyrate transaminase' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-amino-N-butyrate transaminase


(Rattus norvegicus)
BDBM50137629
PNG
(4-Amino-4,5-dihydro-furan-2-carboxylic acid anion)
Show SMILES NC1COC(=C1)C([O-])=O
Show InChI InChI=1S/C5H7NO3/c6-3-1-4(5(7)8)9-2-3/h1,3H,2,6H2,(H,7,8)/p-1
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PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
KI for pyridoxal 5'-phosphate (PLP)-dependent Gamma-amino-N-butyrate transaminase at pH 7.4


Bioorg Med Chem Lett 14: 203-6 (2003)

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


(Rattus norvegicus)
BDBM50255245
PNG
(3-chloro-1-(4-hydroxyphenyl)propan-1-one | CHEMBL5...)
Show SMILES Oc1ccc(cc1)C(=O)CCCl
Show InChI InChI=1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2
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PubMed
2.43E+4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Activity of GABA transaminase in rat brain


Bioorg Med Chem Lett 19: 731-4 (2009)

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


(Rattus norvegicus)
BDBM50401019
PNG
(CHEMBL2203661)
Show SMILES [NH3+][C@H]1[C@H](CCC1=C(F)F)C([O-])=O
Show InChI InChI=1S/C7H9F2NO2/c8-6(9)3-1-2-4(5(3)10)7(11)12/h4-5H,1-2,10H2,(H,11,12)/t4-,5+/m0/s1
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3.10E+4n/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
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)
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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
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)
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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)
BDBM50255245
PNG
(3-chloro-1-(4-hydroxyphenyl)propan-1-one | CHEMBL5...)
Show SMILES Oc1ccc(cc1)C(=O)CCCl
Show InChI InChI=1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2
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PubMed
n/an/a 3.99E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GABA transaminase in rat brain by Kitz-Wilson plot


Bioorg Med Chem Lett 19: 731-4 (2009)

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


(Rattus norvegicus)
BDBM50177411
PNG
(4-formylphenol | 4-hydroxybenzaldehyde | CHEMBL141...)
Show SMILES Oc1ccc(C=O)cc1
Show InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
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PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GABA transaminase in rat brain by Kitz-Wilson plot


Bioorg Med Chem Lett 19: 731-4 (2009)

More data for this
Ligand-Target Pair