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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamine synthetase' and Ligand = 'BDBM50174522'   
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+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