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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'lapointe' and Initial = 'j'   
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
Glutamate--tRNA ligase


(Escherichia coli)		BDBM18122
PNG
((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
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 2.80 -50.8n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

J Enzyme Inhib Med Chem 20: 61-7 (2005)


Article DOI: 10.1080/14756360400002007
BindingDB Entry DOI: 10.7270/Q2X0659C
More data for this
Ligand-Target Pair
Aspartate--tRNA ligase


(Escherichia coli)		BDBM18127
PNG
(3-amino-4-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
Show SMILES NC(CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5?,6-,9-,10-,14-/m1/s1
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 15 -46.5n/an/an/an/an/a7.537



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 13: 69-75 (2005)


Article DOI: 10.1016/j.bmc.2004.09.055
BindingDB Entry DOI: 10.7270/Q2S75DM3
More data for this
Ligand-Target Pair
Probable glutamate--tRNA ligase, mitochondrial


(Mus musculus (mouse))		BDBM18122
PNG
((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
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 70 -41.5n/an/an/an/an/a8.030



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

J Enzyme Inhib Med Chem 20: 61-7 (2005)


Article DOI: 10.1080/14756360400002007
BindingDB Entry DOI: 10.7270/Q2X0659C
More data for this
Ligand-Target Pair
Aspartate--tRNA ligase


(Escherichia coli)		BDBM18126
PNG
(3-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-y...)
Show SMILES NC(CC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H21N6O9P/c16-6(1-9(23)24)7(22)3-31(27,28)29-2-8-11(25)12(26)15(30-8)21-5-20-10-13(17)18-4-19-14(10)21/h4-6,8,11-12,15,25-26H,1-3,16H2,(H,23,24)(H,27,28)(H2,17,18,19)/t6?,8-,11-,12-,15-/m1/s1
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 123 -41.0n/an/an/an/an/a7.537



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 13: 69-75 (2005)


Article DOI: 10.1016/j.bmc.2004.09.055
BindingDB Entry DOI: 10.7270/Q2S75DM3
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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 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
Glutamate--tRNA ligase


(Escherichia coli)		BDBM18123
PNG
((5S)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H19N7O8S/c16-12-9-13(18-4-17-12)22(5-19-9)15-11(25)10(24)7(30-15)3-29-31(27,28)21-14(26)6-1-2-8(23)20-6/h4-7,10-11,15,24-25H,1-3H2,(H,20,23)(H,21,26)(H2,16,17,18)/t6-,7+,10+,11+,15+/m0/s1
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 1.50E+4 -28.6n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

J Enzyme Inhib Med Chem 20: 61-7 (2005)


Article DOI: 10.1080/14756360400002007
BindingDB Entry DOI: 10.7270/Q2X0659C
More data for this
Ligand-Target Pair
Glutamate--tRNA ligase


(Escherichia coli)		BDBM18118
PNG
((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N6O9P/c17-7(1-2-10(24)25)8(23)4-32(28,29)30-3-9-12(26)13(27)16(31-9)22-6-21-11-14(18)19-5-20-15(11)22/h5-7,9,12-13,16,26-27H,1-4,17H2,(H,24,25)(H,28,29)(H2,18,19,20)/t7-,9+,12+,13+,16+/m0/s1
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 1.80E+4 -28.2n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 15: 295-304 (2007)


Article DOI: 10.1016/j.bmc.2006.09.056
BindingDB Entry DOI: 10.7270/Q21N7ZD3
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
Tyrosine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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 4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of aminoacyl tRNA 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
Aspartate--tRNA ligase


(Escherichia coli)		BDBM18124
PNG
((3S)-3-amino-4-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES N[C@H](COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC(O)=O |r|
Show InChI InChI=1S/C14H21N6O9P/c15-6(1-8(21)22)2-27-30(25,26)28-3-7-10(23)11(24)14(29-7)20-5-19-9-12(16)17-4-18-13(9)20/h4-7,10-11,14,23-24H,1-3,15H2,(H,21,22)(H,25,26)(H2,16,17,18)/t6-,7+,10+,11+,14+/m0/s1
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 4.50E+4 -25.8n/an/an/an/an/a7.537



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 13: 69-75 (2005)


Article DOI: 10.1016/j.bmc.2004.09.055
BindingDB Entry DOI: 10.7270/Q2S75DM3
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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 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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 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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 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


(Escherichia coli)		BDBM18120
PNG
(Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...)
Show SMILES N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H24N7O8P/c17-7(1-2-10(18)25)8(24)4-32(28,29)30-3-9-12(26)13(27)16(31-9)23-6-22-11-14(19)20-5-21-15(11)23/h5-7,9,12-13,16,26-27H,1-4,17H2,(H2,18,25)(H,28,29)(H2,19,20,21)/p-1/t7-,9+,12+,13+,16+/m0/s1
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 6.50E+5 -18.9n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 15: 295-304 (2007)


Article DOI: 10.1016/j.bmc.2006.09.056
BindingDB Entry DOI: 10.7270/Q21N7ZD3
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Bos taurus (bovine))		BDBM18118
PNG
((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N6O9P/c17-7(1-2-10(24)25)8(23)4-32(28,29)30-3-9-12(26)13(27)16(31-9)22-6-21-11-14(18)19-5-20-15(11)22/h5-7,9,12-13,16,26-27H,1-4,17H2,(H,24,25)(H,28,29)(H2,18,19,20)/t7-,9+,12+,13+,16+/m0/s1
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 2.60E+6 -15.3n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 15: 295-304 (2007)


Article DOI: 10.1016/j.bmc.2006.09.056
BindingDB Entry DOI: 10.7270/Q21N7ZD3
More data for this
Ligand-Target Pair
Glutamine--tRNA ligase


(Escherichia coli)		BDBM18118
PNG
((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N6O9P/c17-7(1-2-10(24)25)8(23)4-32(28,29)30-3-9-12(26)13(27)16(31-9)22-6-21-11-14(18)19-5-20-15(11)22/h5-7,9,12-13,16,26-27H,1-4,17H2,(H,24,25)(H,28,29)(H2,18,19,20)/t7-,9+,12+,13+,16+/m0/s1
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 2.80E+6 -15.2n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 15: 295-304 (2007)


Article DOI: 10.1016/j.bmc.2006.09.056
BindingDB Entry DOI: 10.7270/Q21N7ZD3
More data for this
Ligand-Target Pair
Glutamate--tRNA ligase


(Escherichia coli)		BDBM18120
PNG
(Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...)
Show SMILES N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H24N7O8P/c17-7(1-2-10(18)25)8(24)4-32(28,29)30-3-9-12(26)13(27)16(31-9)23-6-22-11-14(19)20-5-21-15(11)23/h5-7,9,12-13,16,26-27H,1-4,17H2,(H2,18,25)(H,28,29)(H2,19,20,21)/p-1/t7-,9+,12+,13+,16+/m0/s1
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 2.90E+6 -15.1n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...

Bioorg Med Chem 15: 295-304 (2007)


Article DOI: 10.1016/j.bmc.2006.09.056
BindingDB Entry DOI: 10.7270/Q21N7ZD3
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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 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