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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Glutamine synthetase'   
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
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)


BindingDB Entry DOI: 10.7270/Q24J0CNF
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)


BindingDB Entry DOI: 10.7270/Q24J0CNF
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)


BindingDB Entry DOI: 10.7270/Q24J0CNF
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)


BindingDB Entry DOI: 10.7270/Q24J0CNF
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)


BindingDB Entry DOI: 10.7270/Q24J0CNF
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)


BindingDB Entry DOI: 10.7270/Q24J0CNF
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174523
PNG
((S)-2-Amino-4-(aminomethyl-hydroxy-phosphinoyl)-bu...)
Show SMILES N[C@@H](CCP(O)(O)C=N)C(O)=O
Show InChI InChI=1S/C5H13N2O4P/c6-3-12(10,11)2-1-4(7)5(8)9/h3-4,6,10-12H,1-2,7H2,(H,8,9)/t4-/m0/s1
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590n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174527
PNG
((S)-2-Amino-4-(hydroxy-methyl-phosphinoyl)-butyric...)
Show SMILES CP(O)(=O)CC[C@H](N)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)/t4-/m0/s1
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600n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
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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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)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174526
PNG
((S)-2-Amino-4-(hydroxy-hydroxymethyl-phosphinoyl)-...)
Show SMILES N[C@@H](CCP(O)(O)C=O)C(O)=O
Show InChI InChI=1S/C5H12NO5P/c6-4(5(8)9)1-2-12(10,11)3-7/h3-4,10-12H,1-2,6H2,(H,8,9)/t4-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174521
PNG
((S)-2-Amino-4-[((S)-1-amino-ethyl)-hydroxy-phosphi...)
Show SMILES CC(=N)P(O)(O)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N2O4P/c1-4(7)13(11,12)3-2-5(8)6(9)10/h5,7,11-13H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174521
PNG
((S)-2-Amino-4-[((S)-1-amino-ethyl)-hydroxy-phosphi...)
Show SMILES CC(=N)P(O)(O)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N2O4P/c1-4(7)13(11,12)3-2-5(8)6(9)10/h5,7,11-13H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174522
PNG
((S)-2-Amino-4-[(2-amino-ethyl)-hydroxy-phosphinoyl...)
Show SMILES N[C@@H](CCP(O)(O)CC=N)C(O)=O
Show InChI InChI=1S/C6H15N2O4P/c7-2-4-13(11,12)3-1-5(8)6(9)10/h2,5,7,11-13H,1,3-4,8H2,(H,9,10)/t5-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Glycine max)
BDBM50260541
PNG
(CHEMBL452711 | L-2-Amino-4-hydroxyaminobutyric aci...)
Show SMILES N[C@@H](CCNO)C(O)=O
Show InChI InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-6-9/h3,6,9H,1-2,5H2,(H,7,8)/t3-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of soybean glutamine synthetase by transferase assay


Bioorg Med Chem 16: 5501-13 (2008)


Article DOI: 10.1016/j.bmc.2008.04.015
BindingDB Entry DOI: 10.7270/Q2VQ32GV
More data for this
Ligand-Target Pair
Glutamine synthetase


(Salmonella typhimurium)
BDBM50260535
PNG
((2S,5R)-2,6-diamino-5-hydroxyhexanoic acid | (2S,5...)
Show SMILES NC[C@H](O)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Salmonella typhimurium glutamine synthetase by transferase assay


Bioorg Med Chem 16: 5501-13 (2008)


Article DOI: 10.1016/j.bmc.2008.04.015
BindingDB Entry DOI: 10.7270/Q2VQ32GV
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)


Article DOI: 10.1021/jm00394a022
BindingDB Entry DOI: 10.7270/Q2125T7K
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174524
PNG
((S)-2-Amino-4-[(2-carboxy-ethyl)-hydroxy-phosphino...)
Show SMILES N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Binding affinity towards glutamine synthetase


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
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)


Article DOI: 10.1021/jm00394a022
BindingDB Entry DOI: 10.7270/Q2125T7K
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 (Escherichia coli) activity using biosynthetic assay [mixed Non...


J Med Chem 30: 2062-7 (1987)


Article DOI: 10.1021/jm00394a022
BindingDB Entry DOI: 10.7270/Q2125T7K
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174527
PNG
((S)-2-Amino-4-(hydroxy-methyl-phosphinoyl)-butyric...)
Show SMILES CP(O)(=O)CC[C@H](N)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)/t4-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174524
PNG
((S)-2-Amino-4-[(2-carboxy-ethyl)-hydroxy-phosphino...)
Show SMILES N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1
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n/an/a 9.70E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174522
PNG
((S)-2-Amino-4-[(2-amino-ethyl)-hydroxy-phosphinoyl...)
Show SMILES N[C@@H](CCP(O)(O)CC=N)C(O)=O
Show InChI InChI=1S/C6H15N2O4P/c7-2-4-13(11,12)3-1-5(8)6(9)10/h2,5,7,11-13H,1,3-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174521
PNG
((S)-2-Amino-4-[((S)-1-amino-ethyl)-hydroxy-phosphi...)
Show SMILES CC(=N)P(O)(O)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N2O4P/c1-4(7)13(11,12)3-2-5(8)6(9)10/h5,7,11-13H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174526
PNG
((S)-2-Amino-4-(hydroxy-hydroxymethyl-phosphinoyl)-...)
Show SMILES N[C@@H](CCP(O)(O)C=O)C(O)=O
Show InChI InChI=1S/C5H12NO5P/c6-4(5(8)9)1-2-12(10,11)3-7/h3-4,10-12H,1-2,6H2,(H,8,9)/t4-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174523
PNG
((S)-2-Amino-4-(aminomethyl-hydroxy-phosphinoyl)-bu...)
Show SMILES N[C@@H](CCP(O)(O)C=N)C(O)=O
Show InChI InChI=1S/C5H13N2O4P/c6-3-12(10,11)2-1-4(7)5(8)9/h3-4,6,10-12H,1-2,7H2,(H,8,9)/t4-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair
Glutamine synthetase


(Escherichia coli (strain K12))
BDBM50174521
PNG
((S)-2-Amino-4-[((S)-1-amino-ethyl)-hydroxy-phosphi...)
Show SMILES CC(=N)P(O)(O)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N2O4P/c1-4(7)13(11,12)3-2-5(8)6(9)10/h5,7,11-13H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4


J Med Chem 48: 6340-9 (2005)


Article DOI: 10.1021/jm050474e
BindingDB Entry DOI: 10.7270/Q29C6Z6R
More data for this
Ligand-Target Pair