Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'dubois' and Initial = 'dy'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutamate--tRNA ligase (Escherichia coli)	BDBM18122 ((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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.80	-50.8	n/a	n/a	n/a	n/a	n/a	7.2	37
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
Probable glutamate--tRNA ligase, mitochondrial (Mus musculus (mouse))	BDBM18122 ((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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	-41.5	n/a	n/a	n/a	n/a	n/a	8.0	30
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
Glutamine--tRNA ligase (Homo sapiens (Human))	BDBM50366674 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	-28.6	n/a	n/a	n/a	n/a	n/a	7.2	37
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