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3 similar compounds to monomer 18131

Compile data set for download or QSAR
Wt: 415.3
BDBM18130
Wt: 385.3
BDBM50091496
Wt: 385.3
BDBM50091497

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 18130,50091496,50091497   
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
tRNA synthetase (TyrRS)


(Staphylococcus aureus)
BDBM18130
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@](O)(CO)[C@@H](O)CN1O)C(O)=O
Show InChI InChI=1/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/s2
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PDB
Article
PubMed
n/an/a 3n/an/an/an/a7.937



GSK



Assay Description
The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...


Protein Sci 10: 2008-16 (2001)


Article DOI: 10.1110/ps.18001
BindingDB Entry DOI: 10.7270/Q2NG4NXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Article
PubMed
n/an/a 1.20n/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)


Article DOI: 10.1016/s0960-894x(00)00348-6
BindingDB Entry DOI: 10.7270/Q23F4Q5G
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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PubMed
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)


Article DOI: 10.1016/s0960-894x(00)00348-6
BindingDB Entry DOI: 10.7270/Q23F4Q5G
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)


Article DOI: 10.1016/s0960-894x(01)00039-7
BindingDB Entry DOI: 10.7270/Q2445KR1
More data for this
Ligand-Target Pair