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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Glutamine synthetase' AND taxid = 83333   
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


(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)

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)

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)

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)

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)

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)

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)

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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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)

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)

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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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)

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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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)

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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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)

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)

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)

More data for this
Ligand-Target Pair