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Compile Data Set for Download or QSAR

Found 17 hits of ki data for polymerid = 50000150   
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
Gamma-amino-N-butyrate transaminase


(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)


Article DOI: 10.1021/jm00155a029
BindingDB Entry DOI: 10.7270/Q2668C6T
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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)


Article DOI: 10.1021/jm00385a003
BindingDB Entry DOI: 10.7270/Q2SF2V5K
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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
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)


Article DOI: 10.1021/jm020134i
BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm020134i
BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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)


Article DOI: 10.1021/jm020134i
BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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
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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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
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)


Article DOI: 10.1021/jm020134i
BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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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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)


Article DOI: 10.1021/jm201231w
BindingDB Entry DOI: 10.7270/Q2QF8V1F
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(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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US Patent
3.20E+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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM323801
PNG
((4S)-4-Aminotetrahydrothiophene-2-carboxylic acid ...)
Show SMILES [NH3+][C@H]1C[C@H](C([O-])=O)S(=O)(=O)C1
Show InChI InChI=1S/C5H9NO4S/c6-3-1-4(5(7)8)11(9,10)2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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3.20E+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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM323803
PNG
(US10189807, Compound 21)
Show SMILES [NH3+][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+/m1/s1
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3.30E+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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM323802
PNG
(US10189807, Compound 20)
Show SMILES [NH3+][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-/m1/s1
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3.40E+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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
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


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM323805
PNG
(US10189807, Compound 22)
Show SMILES [NH3+][C@@H]1CC(C([O-])=O)S(=O)(=O)C1
Show InChI InChI=1S/C5H9NO4S/c6-3-1-4(5(7)8)11(9,10)2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4?/m1/s1
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US Patent
7.50E+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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2C82CDG
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
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


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm020134i
BindingDB Entry DOI: 10.7270/Q2G1605T
More data for this
Ligand-Target Pair