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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50035651   
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))
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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PC sid
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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)


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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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)


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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2125T7K
More data for this
Ligand-Target Pair