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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Glutamine synthetase' 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
Glutamine synthetase


(Homo sapiens (Human))
BDBM85288
PNG
(Phosphinothricin analog, 1 (L Isomer))
Show SMILES CP([O-])(=O)CCC([NH3+])C([O-])=O
Show InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/p-1
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0.220n/an/an/an/an/an/a7.0n/a



Chevron Chemical Company



Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.


Bioorg Chem 18: 154-9 (1990)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM85291
PNG
(Phosphinothricin analog, 4 (D,L Isomer))
Show SMILES CP(O)([O-])C1=C[C@]([NH3+])(CC1)C([O-])=O
Show InChI InChI=1S/C7H13NO4P/c1-13(11,12)5-2-3-7(8,4-5)6(9)10/h4,11,13H,2-3,8H2,1H3,(H,9,10)/q-1/t7-/m1/s1
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0.470n/an/an/an/an/an/a7.0n/a



Chevron Chemical Company



Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.


Bioorg Chem 18: 154-9 (1990)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM85293
PNG
(Phosphinothricin analog, 6 (D,L Isomer))
Show SMILES CP(O)([O-])C1=C[C@]([NH3+])(CO1)C([O-])=O
Show InChI InChI=1S/C6H11NO5P/c1-13(10,11)4-2-6(7,3-12-4)5(8)9/h2,10,13H,3,7H2,1H3,(H,8,9)/q-1/t6-/m0/s1
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5n/an/an/an/an/an/a7.0n/a



Chevron Chemical Company



Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.


Bioorg Chem 18: 154-9 (1990)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM85290
PNG
(Phosphinothricin analog, 3 (L Isomer))
Show SMILES CP(O)([O-])C(=O)CC([NH3+])C([O-])=O
Show InChI InChI=1S/C5H11NO5P/c1-12(10,11)4(7)2-3(6)5(8)9/h3,10,12H,2,6H2,1H3,(H,8,9)/q-1
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45n/an/an/an/an/an/a7.0n/a



Chevron Chemical Company



Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.


Bioorg Chem 18: 154-9 (1990)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM85289
PNG
(Phosphinothricin analog, 2 (D,L mixture))
Show SMILES CC(CC([NH3+])C([O-])=O)P(C)([O-])=O
Show InChI InChI=1S/C6H14NO4P/c1-4(12(2,10)11)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/p-1
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140n/an/an/an/an/an/a7.0n/a



Chevron Chemical Company



Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.


Bioorg Chem 18: 154-9 (1990)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM85292
PNG
(Phosphinothricin analog, 5 (D,L Isomer))
Show SMILES CP(O)([O-])C1=C[C@]([NH3+])(CCC1)C(O)=O
Show InChI InChI=1S/C8H15NO4P/c1-14(12,13)6-3-2-4-8(9,5-6)7(10)11/h5,12,14H,2-4,9H2,1H3,(H,10,11)/q-1/p+1/t8-/m1/s1
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310n/an/an/an/an/an/a7.0n/a



Chevron Chemical Company



Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.


Bioorg Chem 18: 154-9 (1990)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM50113828
PNG
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1
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PubMed
850n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Glutamine synthetase


J Med Chem 45: 2469-83 (2002)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM50019955
PNG
(2-ammonio-4-[hydroxy(phosphonomethyl)phosphoryl]bu...)
Show SMILES [NH3+]C(CCP([O-])(=O)CP(O)(O)=O)C([O-])=O
Show InChI InChI=1S/C5H13NO7P2/c6-4(5(7)8)1-2-14(9,10)3-15(11,12)13/h4H,1-3,6H2,(H,7,8)(H,9,10)(H2,11,12,13)/p-1
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7.50E+4n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Escherichia coli) activity using biosynthetic assay [mixed Non...


J Med Chem 30: 2062-7 (1987)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM50019955
PNG
(2-ammonio-4-[hydroxy(phosphonomethyl)phosphoryl]bu...)
Show SMILES [NH3+]C(CCP([O-])(=O)CP(O)(O)=O)C([O-])=O
Show InChI InChI=1S/C5H13NO7P2/c6-4(5(7)8)1-2-14(9,10)3-15(11,12)13/h4H,1-3,6H2,(H,7,8)(H,9,10)(H2,11,12,13)/p-1
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2.50E+5n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Pea seed) activity using biosynthetic assay [noncompetitive in...


J Med Chem 30: 2062-7 (1987)

More data for this
Ligand-Target Pair
Glutamine synthetase


(Homo sapiens (Human))
BDBM50019955
PNG
(2-ammonio-4-[hydroxy(phosphonomethyl)phosphoryl]bu...)
Show SMILES [NH3+]C(CCP([O-])(=O)CP(O)(O)=O)C([O-])=O
Show InChI InChI=1S/C5H13NO7P2/c6-4(5(7)8)1-2-14(9,10)3-15(11,12)13/h4H,1-3,6H2,(H,7,8)(H,9,10)(H2,11,12,13)/p-1
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7.50E+5n/an/an/an/an/an/an/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Ovine brain) activity using biosynthetic assay [competitive in...


J Med Chem 30: 2062-7 (1987)

More data for this
Ligand-Target Pair