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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-tRNA synthetase'   
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
Tyrosyl-tRNA synthetase


(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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Article
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
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM18128
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r|
Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 11: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BPK
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097749
PNG
(CHEMBL163375 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...)
Show SMILES CCCCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H32N2O8/c1-3-4-9-30-21(29)15(19-18(27)17(26)16(25)11(2)31-19)23-20(28)14(22)10-12-5-7-13(24)8-6-12/h5-8,11,14-19,24-27H,3-4,9-10,22H2,1-2H3,(H,23,28)/t11-,14+,15+,16+,17+,18-,19+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 715-8 (2001)


BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50091497
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O)C(O)=O
Show InChI InChI=1S/C16H23N3O8/c17-9(5-7-1-3-8(20)4-2-7)15(24)18-11(16(25)26)12-14(23)13(22)10(21)6-19(12)27/h1-4,9-14,20-23,27H,5-6,17H2,(H,18,24)(H,25,26)/t9-,10-,11-,12-,13-,14-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 711-4 (2001)


BindingDB Entry DOI: 10.7270/Q2445KR1
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50091497
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O)C(O)=O
Show InChI InChI=1S/C16H23N3O8/c17-9(5-7-1-3-8(20)4-2-7)15(24)18-11(16(25)26)12-14(23)13(22)10(21)6-19(12)27/h1-4,9-14,20-23,27H,5-6,17H2,(H,18,24)(H,25,26)/t9-,10-,11-,12-,13-,14-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined


Bioorg Med Chem Lett 10: 1811-4 (2000)


BindingDB Entry DOI: 10.7270/Q23F4Q5G
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM18128
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r|
Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined


Bioorg Med Chem Lett 10: 1811-4 (2000)


BindingDB Entry DOI: 10.7270/Q23F4Q5G
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097746
PNG
((S)-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C1C(O)[C@]2(O)CO[C@H]([C@H]2O)N1O)C(O)=O
Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11?,12?,13+,15+,17+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 711-4 (2001)


BindingDB Entry DOI: 10.7270/Q2445KR1
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50104311
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O |c:21|
Show InChI InChI=1S/C19H26N2O7/c1-2-28-19(27)15(12-7-8-14(23)17(25)16(12)24)21-18(26)13(20)9-10-3-5-11(22)6-4-10/h3-8,12-17,22-25H,2,9,20H2,1H3,(H,21,26)/t12-,13-,14-,15-,16-,17-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 11: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BPK
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097748
PNG
(CHEMBL351127 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...)
Show SMILES CCCCOC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1
Show InChI InChI=1S/C21H32N2O7/c1-3-4-9-29-21(28)18(17-11-16(25)19(26)12(2)30-17)23-20(27)15(22)10-13-5-7-14(24)8-6-13/h5-8,12,15-19,24-26H,3-4,9-11,22H2,1-2H3,(H,23,27)/t12-,15+,16-,17-,18?,19+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 715-8 (2001)


BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM18132
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES [H][C@]1(O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 715-8 (2001)


BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50091496
PNG
((R)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O)C(O)=O
Show InChI InChI=1S/C16H23N3O8/c17-9(5-7-1-3-8(20)4-2-7)15(24)18-11(16(25)26)12-14(23)13(22)10(21)6-19(12)27/h1-4,9-14,20-23,27H,5-6,17H2,(H,18,24)(H,25,26)/t9-,10-,11+,12-,13-,14-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined


Bioorg Med Chem Lett 10: 1811-4 (2000)


BindingDB Entry DOI: 10.7270/Q23F4Q5G
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097744
PNG
((S)-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C16H22N2O8/c17-9(5-7-1-3-8(19)4-2-7)15(23)18-11(16(24)25)14-13(22)12(21)10(20)6-26-14/h1-4,9-14,19-22H,5-6,17H2,(H,18,23)(H,24,25)/t9-,10-,11-,12-,13+,14-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 715-8 (2001)


BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097744
PNG
((S)-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C16H22N2O8/c17-9(5-7-1-3-8(19)4-2-7)15(23)18-11(16(24)25)14-13(22)12(21)10(20)6-26-14/h1-4,9-14,19-22H,5-6,17H2,(H,18,23)(H,24,25)/t9-,10-,11-,12-,13+,14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 711-4 (2001)


BindingDB Entry DOI: 10.7270/Q2445KR1
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50104310
PNG
((R)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CCOC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O |c:21|
Show InChI InChI=1S/C19H26N2O7/c1-2-28-19(27)15(12-7-8-14(23)17(25)16(12)24)21-18(26)13(20)9-10-3-5-11(22)6-4-10/h3-8,12-17,22-25H,2,9,20H2,1H3,(H,21,26)/t12-,13-,14-,15+,16-,17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 11: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BPK
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097747
PNG
(CHEMBL162552 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC([C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C17H24N2O9/c18-9(5-7-1-3-8(21)4-2-7)16(25)19-11(17(26)27)15-14(24)13(23)12(22)10(6-20)28-15/h1-4,9-15,20-24H,5-6,18H2,(H,19,25)(H,26,27)/t9-,10+,11?,12-,13-,14+,15-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 715-8 (2001)


BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50104313
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H28N2O7/c1-2-28-19(27)15(12-7-8-14(23)17(25)16(12)24)21-18(26)13(20)9-10-3-5-11(22)6-4-10/h3-6,12-17,22-25H,2,7-9,20H2,1H3,(H,21,26)/t12-,13-,14-,15-,16-,17-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 11: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BPK
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097745
PNG
(CHEMBL159436 | [2-Amino-3-((S)-4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C16H22N2O8/c17-9(5-7-1-3-8(19)4-2-7)15(23)18-11(16(24)25)14-13(22)12(21)10(20)6-26-14/h1-4,9-14,19-22H,5-6,17H2,(H,18,23)(H,24,25)/t9-,10-,11+,12-,13+,14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 711-4 (2001)


BindingDB Entry DOI: 10.7270/Q2445KR1
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081838
PNG
(CHEMBL318019 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H18N2O7/c18-11(7-8-1-3-9(20)4-2-8)16(24)19-13(17(25)26)10-5-6-12(21)15(23)14(10)22/h1-6,11,13,20-23H,7,18H2,(H,19,24)(H,25,26)/t11-,13?/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081839
PNG
(CHEMBL98455 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1ccccc1O
Show InChI InChI=1S/C17H18N2O5/c18-13(9-10-5-7-11(20)8-6-10)16(22)19-15(17(23)24)12-3-1-2-4-14(12)21/h1-8,13,15,20-21H,9,18H2,(H,19,22)(H,23,24)/t13-,15?/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081834
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c18-14(10-11-6-8-13(20)9-7-11)16(21)19-15(17(22)23)12-4-2-1-3-5-12/h1-9,14-15,20H,10,18H2,(H,19,21)(H,22,23)/t14-,15-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199134
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C23H21N5O5/c1-16-24-15-22(28(30)31)26(16)12-13-33-23(29)20-14-21(17-8-10-19(32-2)11-9-17)27(25-20)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081837
PNG
(CHEMBL99347 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES COC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C18H20N2O5/c1-25-18(24)16(13-4-2-3-5-15(13)22)20-17(23)14(19)10-11-6-8-12(21)9-7-11/h2-9,14,16,21-22H,10,19H2,1H3,(H,20,23)/t14-,16?/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199139
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O5/c1-15-25-14-22(29(31)32)27(15)11-12-34-23(30)20-13-21(16-3-9-19(33-2)10-4-16)28(26-20)18-7-5-17(24)6-8-18/h3-10,13-14H,11-12H2,1-2H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50104312
PNG
((R)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CCOC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H28N2O7/c1-2-28-19(27)15(12-7-8-14(23)17(25)16(12)24)21-18(26)13(20)9-10-3-5-11(22)6-4-10/h3-6,12-17,22-25H,2,7-9,20H2,1H3,(H,21,26)/t12-,13-,14-,15+,16-,17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 11: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BPK
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50104314
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCCCC1
Show InChI InChI=1S/C18H26N2O4/c1-24-18(23)16(13-5-3-2-4-6-13)20-17(22)15(19)11-12-7-9-14(21)10-8-12/h7-10,13,15-16,21H,2-6,11,19H2,1H3,(H,20,22)/t15-,16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 11: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BPK
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081841
PNG
(CHEMBL95581 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1cccc(O)c1
Show InChI InChI=1S/C17H18N2O5/c18-14(8-10-4-6-12(20)7-5-10)16(22)19-15(17(23)24)11-2-1-3-13(21)9-11/h1-7,9,14-15,20-21H,8,18H2,(H,19,22)(H,23,24)/t14-,15?/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081840
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199144
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-phen...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N5O4/c1-16-8-6-7-11-19(16)21-14-20(25-27(21)18-9-4-3-5-10-18)23(29)32-13-12-26-17(2)24-15-22(26)28(30)31/h3-11,14-15H,12-13H2,1-2H3
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n/an/a 4.55E+3n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199145
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O4/c1-15-5-3-4-6-19(15)21-13-20(26-28(21)18-9-7-17(24)8-10-18)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081836
PNG
(CHEMBL95616 | [(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(O)=O)c1ccccc1F
Show InChI InChI=1S/C17H17FN2O4/c18-13-4-2-1-3-12(13)15(17(23)24)20-16(22)14(19)9-10-5-7-11(21)8-6-10/h1-8,14-15,21H,9,19H2,(H,20,22)(H,23,24)/t14-,15?/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199129
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C24H23N5O5/c1-16-4-8-19(9-5-16)28-22(18-6-10-20(33-3)11-7-18)14-21(26-28)24(30)34-13-12-27-17(2)25-15-23(27)29(31)32/h4-11,14-15H,12-13H2,1-3H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50081835
PNG
((S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(O)=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H18N2O6/c18-12(7-9-1-4-11(20)5-2-9)16(23)19-15(17(24)25)10-3-6-13(21)14(22)8-10/h1-6,8,12,15,20-22H,7,18H2,(H,19,23)(H,24,25)/t12-,15-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase


Bioorg Med Chem Lett 9: 2859-62 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XX9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199143
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17ClIN5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-6-17(24)7-3-15)28(26-19)18-8-4-16(23)5-9-18/h2-9,12-13H,10-11H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199147
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H18ClN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-5-3-2-4-6-16)27(25-19)18-9-7-17(23)8-10-18/h2-10,13-14H,11-12H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199140
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(C)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O4/c1-15-3-5-17(6-4-15)21-13-20(26-28(21)19-9-7-18(24)8-10-19)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199137
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C22H18ClN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-7-9-17(23)10-8-16)27(25-19)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199150
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-phen...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(C)c2)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N5O4/c1-16-7-6-8-18(13-16)21-14-20(25-27(21)19-9-4-3-5-10-19)23(29)32-12-11-26-17(2)24-15-22(26)28(30)31/h3-10,13-15H,11-12H2,1-2H3
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n/an/a 2.16E+4n/an/an/an/a7.9n/a



Nanjing University



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The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
BDBM18128
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r|
Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against tyrosyl tRNA synthetase from mammalian cells was determined


Bioorg Med Chem Lett 10: 1811-4 (2000)


BindingDB Entry DOI: 10.7270/Q23F4Q5G
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199151
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(C)c2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O4/c1-15-4-3-5-17(12-15)21-13-20(26-28(21)19-8-6-18(24)7-9-19)23(30)33-11-10-27-16(2)25-14-22(27)29(31)32/h3-9,12-14H,10-11H2,1-2H3
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n/an/a 2.92E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199130
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-di...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(C)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H23N5O4/c1-16-4-8-19(9-5-16)22-14-21(26-28(22)20-10-6-17(2)7-11-20)24(30)33-13-12-27-18(3)25-15-23(27)29(31)32/h4-11,14-15H,12-13H2,1-3H3
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n/an/a 3.19E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199138
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-i...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C22H18IN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-7-9-17(23)10-8-16)27(25-19)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199133
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-i...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20IN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3
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n/an/a 4.05E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199132
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3
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n/an/a 4.78E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199142
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-bi...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17Cl2N5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-4-16(23)5-3-15)28(26-19)18-8-6-17(24)7-9-18/h2-9,12-13H,10-11H2,1H3
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n/an/a 5.31E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199131
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-f...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20FN5O4/c1-15-3-9-19(10-4-15)28-21(17-5-7-18(24)8-6-17)13-20(26-28)23(30)33-12-11-27-16(2)25-14-22(27)29(31)32/h3-10,13-14H,11-12H2,1-2H3
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n/an/a 5.60E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199153
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(F)c2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17ClFN5O4/c1-14-25-13-21(29(31)32)27(14)9-10-33-22(30)19-12-20(15-3-2-4-17(24)11-15)28(26-19)18-7-5-16(23)6-8-18/h2-8,11-13H,9-10H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199135
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-phen...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(C)cc2)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N5O4/c1-16-8-10-18(11-9-16)21-14-20(25-27(21)19-6-4-3-5-7-19)23(29)32-13-12-26-17(2)24-15-22(26)28(30)31/h3-11,14-15H,12-13H2,1-2H3
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n/an/a 6.08E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199146
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-di...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C22H19N5O4/c1-16-23-15-21(27(29)30)25(16)12-13-31-22(28)19-14-20(17-8-4-2-5-9-17)26(24-19)18-10-6-3-7-11-18/h2-11,14-15H,12-13H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199141
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17ClFN5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-6-17(24)7-3-15)28(26-19)18-8-4-16(23)5-9-18/h2-9,12-13H,10-11H2,1H3
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n/an/a 6.44E+4n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199136
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-f...)
Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C22H18FN5O4/c1-15-24-14-21(28(30)31)26(15)11-12-32-22(29)19-13-20(16-7-9-17(23)10-8-16)27(25-19)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3
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Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
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