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Found 155 hits Enz. Inhib. hit(s) with Target = '4-aminobutyrate aminotransferase, mitochondrial'   
Target/Host
(Institution)
LigandTarget/Host
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
4-aminobutyrate aminotransferase, mitochondrial


(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
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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


J Med Chem 39: 686-94 (1996)


Article DOI: 10.1021/jm950437v
BindingDB Entry DOI: 10.7270/Q2CJ8CKR
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


J Med Chem 39: 686-94 (1996)


Article DOI: 10.1021/jm950437v
BindingDB Entry DOI: 10.7270/Q2CJ8CKR
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2668C6T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Rattus norvegicus)
BDBM50137629
PNG
(4-Amino-4,5-dihydro-furan-2-carboxylic acid anion)
Show SMILES NC1COC(=C1)C([O-])=O |c:4|
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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6.30E+3n/an/an/an/an/an/a7.4n/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)


BindingDB Entry DOI: 10.7270/Q28916DF
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
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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9.00E+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 bacteria


J Med Chem 29: 764-70 (1986)


BindingDB Entry DOI: 10.7270/Q2668C6T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(BOVINE)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50561618
PNG
(CHEMBL4746439)
Show SMILES [#7]-[#6@H]1-[#6]=[#6](-[#6]\[#6]-1=[#6](/F)F)-[#6](-[#8])=O |r,c:2|
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1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00672
BindingDB Entry DOI: 10.7270/Q2QZ2FPW
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q20C4V08
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2668C6T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2668C6T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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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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)


Article DOI: 10.1016/j.bmcl.2008.12.033
BindingDB Entry DOI: 10.7270/Q2T72H9G
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50561615
PNG
(CHEMBL4747359)
Show SMILES N[C@H]1C=C(C[C@@H]1F)C(O)=O |r,c:2|
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2.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00672
BindingDB Entry DOI: 10.7270/Q2QZ2FPW
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Rattus norvegicus)
BDBM50401019
PNG
(CHEMBL2203661)
Show SMILES [#7+]-[#6@H]1-[#6@H](-[#6]-[#6]\[#6]-1=[#6](/F)F)-[#6](-[#8-])=O |r|
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)


Article DOI: 10.1021/jm201231w
BindingDB Entry DOI: 10.7270/Q2QF8V1F
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50135932
PNG
((1S,3S)-3-Amino-4-difluoromethylene-cyclopentaneca...)
Show SMILES [#7]-[#6@H]1-[#6]-[#6@H](-[#6]\[#6]-1=[#6](/F)F)-[#6](-[#8])=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


J Med Chem 46: 5292-3 (2003)


Article DOI: 10.1021/jm034162s
BindingDB Entry DOI: 10.7270/Q2C53K8H
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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 |c:4|
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


Bioorg Med Chem 21: 903-11 (2013)


Article DOI: 10.1016/j.bmc.2012.12.009
BindingDB Entry DOI: 10.7270/Q2FX7BRM
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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 |c:4|
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)


BindingDB Entry DOI: 10.7270/Q2JM28V2
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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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5.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00672
BindingDB Entry DOI: 10.7270/Q2QZ2FPW
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50135932
PNG
((1S,3S)-3-Amino-4-difluoromethylene-cyclopentaneca...)
Show SMILES [#7]-[#6@H]1-[#6]-[#6@H](-[#6]\[#6]-1=[#6](/F)F)-[#6](-[#8])=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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5.90E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00672
BindingDB Entry DOI: 10.7270/Q2QZ2FPW
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50021645
PNG
((3-Phenyl-thioureido)-acetic acid | CHEMBL311337 |...)
Show SMILES OC(=O)CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C9H10N2O2S/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)(H2,10,11,14)
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9.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Gamma-amino-N-butyrate transaminase


J Med Chem 30: 239-49 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2V5K
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118885
PNG
(5-Amino-cyclohex-3-enecarboxylic acid | CHEMBL1379...)
Show SMILES N[C@@H]1C[C@H](CC=C1)C(O)=O |c:5|
Show InChI InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6H,2,4,8H2,(H,9,10)/t5-,6-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-amino-N-butyrate transaminase


J Med Chem 45: 4531-9 (2002)


BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118884
PNG
(2-Amino-cyclohex-3-enecarboxylic acid | CHEMBL1419...)
Show SMILES N[C@H]1C=CCC[C@@H]1C(O)=O |c:2|
Show InChI InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h2,4-6H,1,3,8H2,(H,9,10)/t5-,6-/m0/s1
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1.25E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-amino-N-butyrate transaminase


J Med Chem 45: 4531-9 (2002)


BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM466532
PNG
(US10800753, Compound 17)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CS1 |r|
Show InChI InChI=1S/C6H11NO2S/c1-9-6(8)5-2-4(7)3-10-5/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1
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US Patent
1.82E+5n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)


BindingDB Entry DOI: 10.7270/Q2ZC85ZR
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM323799
PNG
((2S,4S)-4-Aminotetrahydrothiophene-2-carboxylic ac...)
Show SMILES N[C@@H]1CS[C@@H](C1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
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1.82E+5n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Biochemical assays were performed using a Biotek Synergy H1 microplate reader. Prior to their evaluation, initial experiments were performed to confi...


US Patent US10189807 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q20C4V08
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | US1018980...)
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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2.90E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00672
BindingDB Entry DOI: 10.7270/Q2QZ2FPW
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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/a8.5n/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)


BindingDB Entry DOI: 10.7270/Q2348KX3
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q20C4V08
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q20C4V08
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50082744
PNG
(4-Amino-cyclopent-2-enecarboxylic acid | CHEMBL358...)
Show SMILES NC1CC(C=C1)C(O)=O |c:4|
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)


BindingDB Entry DOI: 10.7270/Q2JM28V2
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118886
PNG
(4-Amino-hex-5-enoic acid | CHEMBL89598 | US1018980...)
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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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)


BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q2959GH2
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Sus scrofa)
BDBM50082745
PNG
((R)-4-Amino-cyclopent-1-enecarboxylic acid | CHEMB...)
Show SMILES N[C@@H]1CC=C(C1)C(O)=O |c:3|
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)


BindingDB Entry DOI: 10.7270/Q2JM28V2
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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 |r,c:4|
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


J Med Chem 49: 7404-12 (2006)


Article DOI: 10.1021/jm0608715
BindingDB Entry DOI: 10.7270/Q2FF3S17
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q20C4V08
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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/a6.5n/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)


BindingDB Entry DOI: 10.7270/Q2348KX3
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM323800
PNG
((2R,4S)-4-Aminotetrahydrothiophene-2-carboxylic ac...)
Show SMILES N[C@@H]1CS[C@H](C1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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US Patent
2.23E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Biochemical assays were performed using a Biotek Synergy H1 microplate reader. Prior to their evaluation, initial experiments were performed to confi...


US Patent US10189807 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM323800
PNG
((2R,4S)-4-Aminotetrahydrothiophene-2-carboxylic ac...)
Show SMILES N[C@@H]1CS[C@H](C1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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2.23E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)


BindingDB Entry DOI: 10.7270/Q2ZC85ZR
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118888
PNG
(5-Amino-cyclohex-3-enecarboxylic acid | CHEMBL3368...)
Show SMILES N[C@H]1C[C@H](CC=C1)C(O)=O |c:5|
Show InChI InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6H,2,4,8H2,(H,9,10)/t5-,6+/m0/s1
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2.30E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


J Med Chem 45: 4531-9 (2002)


BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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

Curated by ChEMBL


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


Bioorg Med Chem Lett 2: 1371-1374 (1992)


Article DOI: 10.1016/S0960-894X(00)80515-6
BindingDB Entry DOI: 10.7270/Q2251JNG
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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 |c:4|
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)


BindingDB Entry DOI: 10.7270/Q2JM28V2
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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 |r,c:4|
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


J Med Chem 49: 7404-12 (2006)


Article DOI: 10.1021/jm0608715
BindingDB Entry DOI: 10.7270/Q2FF3S17
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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


Bioorg Med Chem 20: 5763-73 (2012)


Article DOI: 10.1016/j.bmc.2012.08.009
BindingDB Entry DOI: 10.7270/Q26H4JHH
More data for this
Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial


(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)


BindingDB Entry DOI: 10.7270/Q20C4V08
More data for this
Ligand-Target Pair
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