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5 similar compounds to monomer 18132

Compile data set for download or QSAR
Wt: 370.3
BDBM50097744
Wt: 370.3
BDBM50097745
Wt: 400.3
BDBM50097747
Wt: 424.4
BDBM50097748
Wt: 440.4
BDBM50097749

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50097744,50097745,50097747,50097748,50097749   
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
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: 711-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00039-7
BindingDB Entry DOI: 10.7270/Q2445KR1
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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n/an/a 260n/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)


Article DOI: 10.1016/s0960-894x(01)00039-7
BindingDB Entry DOI: 10.7270/Q2445KR1
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)


Article DOI: 10.1016/S0960-894X(01)00040-3
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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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)


Article DOI: 10.1016/S0960-894X(01)00040-3
BindingDB Entry DOI: 10.7270/Q20C4V1Q
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)


Article DOI: 10.1016/S0960-894X(01)00040-3
BindingDB Entry DOI: 10.7270/Q20C4V1Q
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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PubMed
n/an/a 190n/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)


Article DOI: 10.1016/S0960-894X(01)00040-3
BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair