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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'Gamma-amino-N-butyrate transaminase' AND taxid = 9606   
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


(Homo sapiens)
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)

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM50118885
PNG
(5-Amino-cyclohex-3-enecarboxylic acid | CHEMBL1379...)
Show SMILES N[C@@H]1C[C@H](CC=C1)C(O)=O
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)

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


(Homo sapiens)
BDBM50118884
PNG
(2-Amino-cyclohex-3-enecarboxylic acid | CHEMBL1419...)
Show SMILES N[C@H]1C=CCC[C@@H]1C(O)=O
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)

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)
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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)

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


(Homo sapiens)
BDBM50118888
PNG
(5-Amino-cyclohex-3-enecarboxylic acid | CHEMBL3368...)
Show SMILES N[C@H]1C[C@H](CC=C1)C(O)=O
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)

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)
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3.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inactivation of GABA-AT


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


(Homo sapiens)
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 Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of GABA aminotransferase


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


(Homo sapiens)
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 Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of GABA aminotransferase


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


(Homo sapiens)
BDBM50118887
PNG
(2-Amino-cyclohex-3-enecarboxylic acid | CHEMBL1384...)
Show SMILES N[C@@H]1C=CCC[C@@H]1C(O)=O
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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1.30E+7n/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)
BDBM50177407
PNG
(1-(4-hydroxyphenyl)prop-2-en-1-one | 4-acryloylphe...)
Show SMILES Oc1ccc(cc1)C(=O)C=C
Show InChI InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2
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PubMed
n/an/a 5.48E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177412
PNG
(4-(aminomethyl)phenol | 4-hydroxybenzylamine | CHE...)
Show SMILES NCc1ccc(O)cc1
Show InChI InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177410
PNG
(4-hydroxy-3-nitrobenzaldehyde | CHEMBL378361)
Show SMILES Oc1ccc(C=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
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n/an/a 1.55E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
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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n/an/a 1.65E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177402
PNG
(1-(4-hydroxy-phenyl)-propan-1-one | 1-(4-hydroxyph...)
Show SMILES CCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
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n/an/a 1.76E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177409
PNG
((4-hydroxyphenyl)ethan-1-one | 1-(4-hydroxyphenyl)...)
Show SMILES CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
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n/an/a 1.88E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177404
PNG
(4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM26194
PNG
(4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...)
Show SMILES OC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177413
PNG
(4-hydroxy-3-methoxybenzaldehyde oxime | CHEMBL2024...)
Show SMILES COc1cc(CN=O)ccc1O
Show InChI InChI=1S/C8H9NO3/c1-12-8-4-6(5-9-11)2-3-7(8)10/h2-4,10H,5H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177408
PNG
(4-(hydroxymethyl)phenol | 4-Hydroxybenzyl alcohol ...)
Show SMILES OCc1ccc(O)cc1
Show InChI InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177406
PNG
(4-hydroxybenzaldehyde oxime | CHEMBL202611)
Show SMILES Oc1ccc(CN=O)cc1
Show InChI InChI=1S/C7H7NO2/c9-7-3-1-6(2-4-7)5-8-10/h1-4,9H,5H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50177403
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxyme...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


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


(Homo sapiens)
BDBM50376753
PNG
(CHEMBL535415)
Show SMILES NCc1ccccc1C(O)=O
Show InChI InChI=1S/C8H9NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5,9H2,(H,10,11)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50376754
PNG
(CHEMBL535865)
Show SMILES Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C8H9NO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50226518
PNG
(3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50376755
PNG
(CHEMBL535643)
Show SMILES NCc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50376751
PNG
(ANTHRANILIC ACID)
Show SMILES Nc1ccccc1C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50376750
PNG
(CHEMBL541141)
Show SMILES NCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50376752
PNG
(CHEMBL535644)
Show SMILES NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GABA-AT


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


(Homo sapiens)
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 1.28E+7n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of GABA transaminase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair