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Compile Data Set for Download or QSAR

Found 9 hits of ki for UniProtKB: P47897   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50366674
PNG
(CHEMBL609187)
Show SMILES NC(CCC(N)=O)COP([O-])(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H24N7O8P/c16-7(1-2-9(17)23)3-28-31(26,27)29-4-8-11(24)12(25)15(30-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,16H2,(H2,17,23)(H,26,27)(H2,18,19,20)/p-1/t7?,8-,11-,12-,15?/m1/s1
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280n/an/an/an/an/an/an/an/a



Universit£ Laval

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Glutaminyl-tRNA synthetase with respect to glutamine.


Bioorg Med Chem Lett 10: 2441-4 (2001)


BindingDB Entry DOI: 10.7270/Q280533K
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50366674
PNG
(CHEMBL609187)
Show SMILES NC(CCC(N)=O)COP([O-])(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H24N7O8P/c16-7(1-2-9(17)23)3-28-31(26,27)29-4-8-11(24)12(25)15(30-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,16H2,(H2,17,23)(H,26,27)(H2,18,19,20)/p-1/t7?,8-,11-,12-,15?/m1/s1
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860n/an/an/an/an/an/an/an/a



Universit£ Laval

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Glutaminyl-tRNA synthetase for Escherichia coli with respect to ATP.


Bioorg Med Chem Lett 10: 2441-4 (2001)


BindingDB Entry DOI: 10.7270/Q280533K
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50366675
PNG
(CHEMBL609496)
Show SMILES NC(CCC(N)=O)C(=O)NS(=O)(=O)O[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H20N8O8S/c15-5(1-2-6(16)23)12(26)21-31(27,28)30-14-9(25)8(24)13(29-14)22-4-20-7-10(17)18-3-19-11(7)22/h3-5,8-9,13-14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/t5?,8-,9+,13?,14-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ Laval

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity to Glutaminyl-tRNA synthetase with respect to glutamine.


Bioorg Med Chem Lett 10: 2441-4 (2001)


BindingDB Entry DOI: 10.7270/Q280533K
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50366673
PNG
(CHEMBL608302)
Show SMILES NC(CCC(O)=O)C(=O)OP(O)(=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H21N6O9P/c16-6(1-2-8(22)23)15(26)30-31(27,28)3-7-10(24)11(25)14(29-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,24-25H,1-3,16H2,(H,22,23)(H,27,28)(H2,17,18,19)/t6?,7-,10-,11-,14?/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ Laval

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of Glutaminyl-tRNA synthetase with respect to glutamine.


Bioorg Med Chem Lett 10: 2441-4 (2001)


BindingDB Entry DOI: 10.7270/Q280533K
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50290175
PNG
(4-ammonio-5-{[(2R,4S,6S)-4-hydroxy-6-(hydroxymethy...)
Show SMILES [NH3+]C(CCC([O-])=O)C(=O)OC[C@H]1C[C@@H](O)C[C@@H](CO)N1
Show InChI InChI=1S/C12H22N2O6/c13-10(1-2-11(17)18)12(19)20-6-8-4-9(16)3-7(5-15)14-8/h7-10,14-16H,1-6,13H2,(H,17,18)/t7-,8+,9-,10?/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetase


Bioorg Med Chem Lett 7: 2363-2366 (1997)


Article DOI: 10.1016/S0960-894X(97)00434-4
BindingDB Entry DOI: 10.7270/Q2CN74D8
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50290174
PNG
(4-ammonio-5-{[(2R,6S)-6-(hydroxymethyl)piperidin-2...)
Show SMILES [NH3+]C(CCC([O-])=O)C(=O)OC[C@H]1CCC[C@@H](CO)N1
Show InChI InChI=1S/C12H22N2O5/c13-10(4-5-11(16)17)12(18)19-7-9-3-1-2-8(6-15)14-9/h8-10,14-15H,1-7,13H2,(H,16,17)/t8-,9+,10?/m0/s1
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Article
2.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetase


Bioorg Med Chem Lett 7: 2363-2366 (1997)


Article DOI: 10.1016/S0960-894X(97)00434-4
BindingDB Entry DOI: 10.7270/Q2CN74D8
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50403640
PNG
(CHEMBL2115178)
Show SMILES NC(CCC(O)=O)C(=O)OC[C@H]1CCCN1 |r|
Show InChI InChI=1S/C10H18N2O4/c11-8(3-4-9(13)14)10(15)16-6-7-2-1-5-12-7/h7-8,12H,1-6,11H2,(H,13,14)/t7-,8?/m1/s1
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Article
3.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetase


Bioorg Med Chem Lett 7: 2363-2366 (1997)


Article DOI: 10.1016/S0960-894X(97)00434-4
BindingDB Entry DOI: 10.7270/Q2CN74D8
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50366478
PNG
(CHEMBL609498)
Show SMILES NC(CCC(O)=O)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C10H17NO8/c11-4(1-2-6(12)13)9(16)18-3-5-7(14)8(15)10(17)19-5/h4-5,7-8,10,14-15,17H,1-3,11H2,(H,12,13)/t4?,5-,7-,8-,10?/m1/s1
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Article
5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetase


Bioorg Med Chem Lett 7: 2363-2366 (1997)


Article DOI: 10.1016/S0960-894X(97)00434-4
BindingDB Entry DOI: 10.7270/Q2CN74D8
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Homo sapiens (Human))
BDBM50403639
PNG
(CHEMBL2114154)
Show SMILES NC(CCC(O)=O)C(=O)OC[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C10H18N2O4/c11-8(3-4-9(13)14)10(15)16-6-7-2-1-5-12-7/h7-8,12H,1-6,11H2,(H,13,14)/t7-,8?/m0/s1
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Article
1.14E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetase


Bioorg Med Chem Lett 7: 2363-2366 (1997)


Article DOI: 10.1016/S0960-894X(97)00434-4
BindingDB Entry DOI: 10.7270/Q2CN74D8
More data for this
Ligand-Target Pair