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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with Target = 'Gamma-amino-N-butyrate transaminase' AND taxid = 9823   
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


(Sus scrofa)
BDBM50049260
PNG
(3-Hydrazinomethyl-phenol | CHEMBL352205)
Show SMILES NNCc1cccc(O)c1
Show InChI InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2
PDB
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300n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50049259
PNG
(CHEMBL160520 | Methyl-hydrazine)
Show InChI InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50024970
PNG
((2E)-4-ammonio-2-(hydroxymethyl)but-2-enoate | CHE...)
Show SMILES [NH3+]C\C=C(/CO)C([O-])=O
Show InChI InChI=1S/C5H9NO3/c6-2-1-4(3-7)5(8)9/h1,7H,2-3,6H2,(H,8,9)/b4-1+
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate transaminase from pig brain


J Med Chem 29: 764-70 (1986)

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


(Sus scrofa)
BDBM50085233
PNG
(3-Amino-4-fluoro-cyclopentanecarboxylic acid | CHE...)
Show SMILES N[C@H]1C[C@H](C[C@@H]1F)C(O)=O
Show InChI InChI=1S/C6H10FNO2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2,8H2,(H,9,10)/t3-,4-,5-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50024968
PNG
((2Z)-4-ammonio-2-(fluoromethyl)but-2-enoate | CHEM...)
Show SMILES [NH3+]C\C=C(/CF)C([O-])=O
Show InChI InChI=1S/C5H8FNO2/c6-3-4(1-2-7)5(8)9/h1H,2-3,7H2,(H,8,9)/b4-1+
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1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate transaminase from pig brain


J Med Chem 29: 764-70 (1986)

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


(Sus scrofa)
BDBM50024969
PNG
((2Z)-4-ammonio-2-(chloromethyl)but-2-enoate | CHEM...)
Show SMILES [NH3+]C\C=C(/CCl)C([O-])=O
Show InChI InChI=1S/C5H8ClNO2/c6-3-4(1-2-7)5(8)9/h1H,2-3,7H2,(H,8,9)/b4-1+
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2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate transaminase from pig brain


J Med Chem 29: 764-70 (1986)

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


(Sus scrofa)
BDBM50135932
PNG
((1S,3S)-3-Amino-4-difluoromethylene-cyclopentaneca...)
Show SMILES N[C@H]1C[C@H](CC1=C(F)F)C(O)=O
Show InChI InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,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
Tested for inhibitory activity of the compound against gamma-aminobutyric acid aminotransferase from pig brain


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


(Sus scrofa)
BDBM50082743
PNG
((1R,4S)-4-Amino-cyclopent-2-enecarboxylic acid | C...)
Show SMILES N[C@H]1C[C@H](C=C1)C(O)=O
Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Reversible inhibition of pig brain GABA-AT using GABA as substrate


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


(Sus scrofa)
BDBM50082743
PNG
((1R,4S)-4-Amino-cyclopent-2-enecarboxylic acid | C...)
Show SMILES N[C@H]1C[C@H](C=C1)C(O)=O
Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase (GABA-AT)


J Med Chem 42: 4725-8 (1999)

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


(Sus scrofa)
BDBM50085239
PNG
(4-Amino-3,3-difluoro-cyclopentanecarboxylic acid |...)
Show SMILES N[C@H]1C[C@H](CC1(F)F)C(O)=O
Show InChI InChI=1S/C6H9F2NO2/c7-6(8)2-3(5(10)11)1-4(6)9/h3-4H,1-2,9H2,(H,10,11)/t3-,4+/m1/s1
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1.90E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50015034
PNG
(3-Carboxy-1-fluoromethyl-propyl-ammonium | 4-Amino...)
Show SMILES N[C@H](CF)CCC(O)=O
Show InChI InChI=1S/C5H10FNO2/c6-3-4(7)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1
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3.95E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory constant of Gamma-amino-N-butyrate transaminase in pig brain at pH of 8.5 and 25 degree C


J Med Chem 29: 1840-6 (1986)

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


(Sus scrofa)
BDBM50015034
PNG
(3-Carboxy-1-fluoromethyl-propyl-ammonium | 4-Amino...)
Show SMILES N[C@H](CF)CCC(O)=O
Show InChI InChI=1S/C5H10FNO2/c6-3-4(7)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1
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4.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50085233
PNG
(3-Amino-4-fluoro-cyclopentanecarboxylic acid | CHE...)
Show SMILES N[C@H]1C[C@H](C[C@@H]1F)C(O)=O
Show InChI InChI=1S/C6H10FNO2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2,8H2,(H,9,10)/t3-,4-,5-/m0/s1
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4.30E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50082744
PNG
(4-Amino-cyclopent-2-enecarboxylic acid | CHEMBL358...)
Show SMILES NC1CC(C=C1)C(O)=O
Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)
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6.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase (GABA-AT)


J Med Chem 42: 4725-8 (1999)

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


(Sus scrofa)
BDBM50015035
PNG
(3-Carboxy-1-fluoromethyl-2-phenyl-propyl-ammonium;...)
Show SMILES [NH3+][C@H](CF)[C@@H](CC(O)=O)c1ccccc1
Show InChI InChI=1S/C11H14FNO2/c12-7-10(13)9(6-11(14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)/p+1/t9-,10+/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-amino-N-butyrate transaminase in pig brain


J Med Chem 33: 931-6 (1990)

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


(Sus scrofa)
BDBM50082745
PNG
((R)-4-Amino-cyclopent-1-enecarboxylic acid | CHEMB...)
Show SMILES N[C@@H]1CC=C(C1)C(O)=O
Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H,8,9)/t5-/m1/s1
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1.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase (GABA-AT)


J Med Chem 42: 4725-8 (1999)

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


(Sus scrofa)
BDBM50199994
PNG
((1R,4S)-4-amino-3-fluoro-cyclopent-2-ene carboxyli...)
Show SMILES N[C@H]1C[C@H](C=C1F)C(O)=O
Show InChI InChI=1S/C6H8FNO2/c7-4-1-3(6(9)10)2-5(4)8/h1,3,5H,2,8H2,(H,9,10)/t3-,5-/m0/s1
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1.30E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol


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


(Sus scrofa)
BDBM50391518
PNG
(CHEMBL2147351)
Show SMILES NCc1csc(c1)C(O)=O
Show InChI InChI=1S/C6H7NO2S/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H,8,9)
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1.35E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50391514
PNG
(CHEMBL2147347)
Show SMILES NCc1ccc(o1)C(O)=O
Show InChI InChI=1S/C6H7NO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H,8,9)
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1.40E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50391519
PNG
(CHEMBL2147352)
Show SMILES NCc1c[nH]c(c1)C(O)=O
Show InChI InChI=1S/C6H8N2O2/c7-2-4-1-5(6(9)10)8-3-4/h1,3,8H,2,7H2,(H,9,10)
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1.59E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50085236
PNG
(3-Amino-4-bromo-2-fluoro-cyclopentanecarboxylic ac...)
Show SMILES N[C@H]1[C@@H](F)[C@H](C[C@@H]1Br)C(O)=O
Show InChI InChI=1S/C6H9BrFNO2/c7-3-1-2(6(10)11)4(8)5(3)9/h2-5H,1,9H2,(H,10,11)/t2-,3-,4-,5+/m0/s1
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1.60E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50391517
PNG
(CHEMBL2147350)
Show SMILES NCc1coc(c1)C(O)=O
Show InChI InChI=1S/C6H7NO3/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H,8,9)
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1.64E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50025199
PNG
(3-Carboxy-1-fluoromethyl-allyl-ammonium)
Show SMILES [NH3+]C(CF)\C=C\C(O)=O
Show InChI InChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9)/p+1/b2-1+
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2.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory constant of Gamma-amino-N-butyrate transaminase in pig brain at pH of 6.5


J Med Chem 29: 1840-6 (1986)

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


(Sus scrofa)
BDBM50391516
PNG
(CHEMBL2147349)
Show SMILES NCc1ccc([nH]1)C(O)=O
Show InChI InChI=1S/C6H8N2O2/c7-3-4-1-2-5(8-4)6(9)10/h1-2,8H,3,7H2,(H,9,10)
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2.14E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50391520
PNG
(CHEMBL2147353)
Show SMILES NCc1cocc1C(O)=O
Show InChI InChI=1S/C6H7NO3/c7-1-4-2-10-3-5(4)6(8)9/h2-3H,1,7H2,(H,8,9)
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2.27E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM17663
PNG
((2S)-2-amino-3-(sulfooxy)propanoic acid | L-SOS | ...)
Show SMILES N[C@@H](COS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
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2.40E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Apparent dissociation constants for inactivation of Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50391515
PNG
(CHEMBL2147348)
Show SMILES NCc1ccc(s1)C(O)=O
Show InChI InChI=1S/C6H7NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H,8,9)
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2.49E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50082746
PNG
((1S,4R)-4-Amino-cyclopent-2-enecarboxylic acid | C...)
Show SMILES N[C@@H]1C[C@@H](C=C1)C(O)=O
Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m1/s1
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2.70E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase (GABA-AT)


J Med Chem 42: 4725-8 (1999)

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


(Sus scrofa)
BDBM50199991
PNG
((1R,4S)-4-amino-3-pentafluoroethyl-cyclopent-2-ene...)
Show SMILES N[C@H]1C[C@H](C=C1C(F)(F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C8H8F5NO2/c9-7(10,8(11,12)13)4-1-3(6(15)16)2-5(4)14/h1,3,5H,2,14H2,(H,15,16)/t3-,5-/m0/s1
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2.80E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol


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


(Sus scrofa)
BDBM50391521
PNG
(CHEMBL2147354)
Show SMILES NCc1cscc1C(O)=O
Show InChI InChI=1S/C6H7NO2S/c7-1-4-2-10-3-5(4)6(8)9/h2-3H,1,7H2,(H,8,9)
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2.86E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay


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


(Sus scrofa)
BDBM50085236
PNG
(3-Amino-4-bromo-2-fluoro-cyclopentanecarboxylic ac...)
Show SMILES N[C@H]1[C@@H](F)[C@H](C[C@@H]1Br)C(O)=O
Show InChI InChI=1S/C6H9BrFNO2/c7-3-1-2(6(10)11)4(8)5(3)9/h2-5H,1,9H2,(H,10,11)/t2-,3-,4-,5+/m0/s1
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3.14E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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)
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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


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


(Sus scrofa)
BDBM50085234
PNG
(3-Amino-4-bromo-cyclopentanecarboxylic acid | CHEM...)
Show SMILES N[C@H]1C[C@H](C[C@@H]1Br)C(O)=O
Show InChI InChI=1S/C6H10BrNO2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2,8H2,(H,9,10)/t3-,4-,5-/m0/s1
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3.60E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50199992
PNG
((1R,4S)-4-amino-3-trifluoromethyl-cyclopent-2-ene ...)
Show SMILES N[C@H]1C[C@H](C=C1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C7H8F3NO2/c8-7(9,10)4-1-3(6(12)13)2-5(4)11/h1,3,5H,2,11H2,(H,12,13)/t3-,5-/m0/s1
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4.11E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol


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


(Sus scrofa)
BDBM50199989
PNG
((1S,3S)-3-amino-4-(2,2,2-trifluoro-1-trifluorometh...)
Show SMILES N[C@H]1C[C@H](CC1=C(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C9H9F6NO2/c10-8(11,12)6(9(13,14)15)4-1-3(7(17)18)2-5(4)16/h3,5H,1-2,16H2,(H,17,18)/t3-,5-/m0/s1
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4.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol


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


(Sus scrofa)
BDBM50085241
PNG
(3-Amino-2,4-dibromo-cyclopentanecarboxylic acid | ...)
Show SMILES N[C@@H]1[C@@H](Br)C[C@@H]([C@H]1Br)C(O)=O
Show InChI InChI=1S/C6H9Br2NO2/c7-3-1-2(6(10)11)4(8)5(3)9/h2-5H,1,9H2,(H,10,11)/t2-,3-,4+,5+/m0/s1
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4.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50085235
PNG
(3-Amino-2-bromo-4-fluoro-cyclopentanecarboxylic ac...)
Show SMILES N[C@@H]1[C@@H](F)C[C@@H]([C@H]1Br)C(O)=O
Show InChI InChI=1S/C6H9BrFNO2/c7-4-2(6(10)11)1-3(8)5(4)9/h2-5H,1,9H2,(H,10,11)/t2-,3-,4+,5+/m0/s1
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4.70E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50280206
PNG
((2S)-2-amino-2-methyl-3-(phosphonooxy)propanoic ac...)
Show SMILES C[C@](N)(COP([O-])([O-])=O)C(O)=O
Show InChI InChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)/p-2/t4-/m0/s1
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5.70E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Apparent dissociation constants for inactivation of Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50085238
PNG
(3-Amino-4-bromo-2-hydroxy-cyclopentanecarboxylic a...)
Show SMILES N[C@H]1[C@H](O)[C@H](C[C@@H]1Br)C(O)=O
Show InChI InChI=1S/C6H10BrNO3/c7-3-1-2(6(10)11)5(9)4(3)8/h2-5,9H,1,8H2,(H,10,11)/t2-,3-,4+,5+/m0/s1
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5.90E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50082127
PNG
(3-(ammoniomethyl)-2,6-difluorobenzenolate | 3-Amin...)
Show SMILES [NH3+]Cc1ccc(F)c([O-])c1F
Show InChI InChI=1S/C7H7F2NO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
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6.30E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of pig brain GABA aminotransferase by Dixon/Cornish-Bowden plot analysis in presence of GABA


J Med Chem 58: 8315-59 (2015)

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


(Sus scrofa)
BDBM50082127
PNG
(3-(ammoniomethyl)-2,6-difluorobenzenolate | 3-Amin...)
Show SMILES [NH3+]Cc1ccc(F)c([O-])c1F
Show InChI InChI=1S/C7H7F2NO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
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6.30E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase from pig brain


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


(Sus scrofa)
BDBM50280205
PNG
((R)-2-Amino-3-chloro-2-methyl-propionic acid | CHE...)
Show SMILES C[C@](N)(CCl)C(O)=O
Show InChI InChI=1S/C4H8ClNO2/c1-4(6,2-5)3(7)8/h2,6H2,1H3,(H,7,8)/t4-/m0/s1
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6.50E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Apparent dissociation constants for inactivation of Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50280203
PNG
((R)-2-Amino-3-fluoro-2-methyl-propionic acid | CHE...)
Show SMILES C[C@](N)(CF)C(O)=O
Show InChI InChI=1S/C4H8FNO2/c1-4(6,2-5)3(7)8/h2,6H2,1H3,(H,7,8)/t4-/m0/s1
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6.80E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Apparent dissociation constants for inactivation of Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50199993
PNG
((1S,3S)-(Z)-3-amino-4-(2,2,2-trifluoroethylidene)c...)
Show SMILES N[C@H]1C[C@H](C\C1=C\C(F)(F)F)C(O)=O
Show InChI InChI=1S/C8H10F3NO2/c9-8(10,11)3-5-1-4(7(13)14)2-6(5)12/h3-4,6H,1-2,12H2,(H,13,14)/b5-3-/t4-,6-/m0/s1
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7.74E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol


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


(Sus scrofa)
BDBM50015036
PNG
(3-Carboxy-1-fluoromethyl-2-phenyl-propyl-ammonium;...)
Show SMILES [NH3+][C@@H](CF)[C@@H](CC(O)=O)c1ccccc1
Show InChI InChI=1S/C11H14FNO2/c12-7-10(13)9(6-11(14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)/p+1/t9-,10-/m0/s1
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8.00E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-amino-N-butyrate transaminase in pig brain


J Med Chem 33: 931-6 (1990)

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


(Sus scrofa)
BDBM50073151
PNG
(4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...)
Show SMILES NCc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2
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1.10E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of pig brain GABA aminotransferase by Dixon/Cornish-Bowden plot analysis in presence of GABA


J Med Chem 58: 8315-59 (2015)

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


(Sus scrofa)
BDBM50073151
PNG
(4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...)
Show SMILES NCc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2
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1.10E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase from pig brain


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


(Sus scrofa)
BDBM50280204
PNG
((S)-2-Amino-2-methyl-but-3-enoic acid | CHEMBL2829...)
Show SMILES C[C@](N)(C=C)C(O)=O
Show InChI InChI=1S/C5H9NO2/c1-3-5(2,6)4(7)8/h3H,1,6H2,2H3,(H,7,8)/t5-/m0/s1
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1.28E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Apparent dissociation constants for inactivation of Gamma-amino-N-butyrate transaminase


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


(Sus scrofa)
BDBM50085240
PNG
(3-Amino-2-bromo-4-hydroxy-cyclopentanecarboxylic a...)
Show SMILES N[C@@H]1[C@@H](O)C[C@@H]([C@H]1Br)C(O)=O
Show InChI InChI=1S/C6H10BrNO3/c7-4-2(6(10)11)1-3(9)5(4)8/h2-5,9H,1,8H2,(H,10,11)/t2-,3-,4+,5+/m0/s1
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1.30E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

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


(Sus scrofa)
BDBM50085234
PNG
(3-Amino-4-bromo-cyclopentanecarboxylic acid | CHEM...)
Show SMILES N[C@H]1C[C@H](C[C@@H]1Br)C(O)=O
Show InChI InChI=1S/C6H10BrNO2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2,8H2,(H,9,10)/t3-,4-,5-/m0/s1
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1.60E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase


J Med Chem 43: 706-20 (2000)

More data for this
Ligand-Target Pair
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