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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glutamine synthetase' and Ligand = 'BDBM50174521'   
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


(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
Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
Article
PubMed
n/an/a 3.10E+4n/an/an/an/a7.4n/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
Article
PubMed
n/an/a 3.30E+4n/an/an/an/a7.4n/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