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Compile Data Set for Download or QSAR

Found 507 hits Enz. Inhib. hit(s) with Target = 'Methionyl-tRNA synthetase'   
Target
(Institution)
LigandTarget
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
Methionyl-tRNA synthetase


(Homo sapiens)
BDBM50112575
PNG
(2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...)
Show SMILES Oc1cc(NCCCNC2CCNc3c(Br)cc(Br)cc23)nc2ccccc12
Show InChI InChI=1S/C21H22Br2N4O/c22-13-10-15-17(6-9-26-21(15)16(23)11-13)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay


J Med Chem 45: 1959-62 (2002)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124821
PNG
(2-[3-(3,5-Dichloro-benzylamino)-propylamino]-1H-qu...)
Show SMILES Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124843
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26BrN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124811
PNG
(2-[3-(3-Bromo-5-iodo-benzylamino)-propylamino]-1H-...)
Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(I)c2)nc2ccccc12
Show InChI InChI=1S/C19H19BrIN3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124826
PNG
(2-[3-(2-Ethoxy-5-iodo-3-methyl-benzylamino)-propyl...)
Show SMILES CCOc1c(C)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26IN3O2/c1-3-28-22-15(2)11-17(23)12-16(22)14-24-9-6-10-25-21-13-20(27)18-7-4-5-8-19(18)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124808
PNG
(2-[3-(2-Ethoxy-3-iodo-5-methoxy-benzylamino)-propy...)
Show SMILES CCOc1c(I)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26IN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149651
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1
Show InChI InChI=1S/C19H23BrN4O3S/c1-3-27-16-12(9-13(26-2)10-14(16)20)11-21-6-4-7-22-19-23-15-5-8-28-17(15)18(25)24-19/h5,8-10,21H,3-4,6-7,11H2,1-2H3,(H2,22,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149623
PNG
(CHEMBL424799 | N-(1H-Benzoimidazol-2-yl)-N''-(3-br...)
Show SMILES CCOc1c(Br)cc(Cl)cc1CNCCCNc1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H22BrClN4O/c1-2-26-18-13(10-14(21)11-15(18)20)12-22-8-5-9-23-19-24-16-6-3-4-7-17(16)25-19/h3-4,6-7,10-11,22H,2,5,8-9,12H2,1H3,(H2,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124846
PNG
(2-[3-(5,7-Dichloro-1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES Oc1cc(NCCCNC2CCCc3c(Cl)cc(Cl)cc23)nc2ccccc12
Show InChI InChI=1S/C22H23Cl2N3O/c23-14-11-17-15(18(24)12-14)6-3-8-19(17)25-9-4-10-26-22-13-21(28)16-5-1-2-7-20(16)27-22/h1-2,5,7,11-13,19,25H,3-4,6,8-10H2,(H2,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149650
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-thi...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccsc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H16Br2N4OS/c17-11-6-10(7-12(18)8-11)9-19-3-1-4-20-16-21-13-2-5-24-14(13)15(23)22-16/h2,5-8,19H,1,3-4,9H2,(H2,20,21,22,23)
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n/an/a 3.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124851
PNG
(4-Ethoxy-3-methyl-5-{[3-(4-oxo-1,4-dihydro-quinoli...)
Show SMILES CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N
Show InChI InChI=1S/C23H26N4O2/c1-3-29-23-16(2)11-17(14-24)12-18(23)15-25-9-6-10-26-22-13-21(28)19-7-4-5-8-20(19)27-22/h4-5,7-8,11-13,25H,3,6,9-10,15H2,1-2H3,(H2,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149646
PNG
(5-[3-(3,5-Dibromo-benzylamino)-propylamino]-4H-thi...)
Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2ccsc12
Show InChI InChI=1S/C17H17Br2N3OS/c18-12-6-11(7-13(19)8-12)10-20-3-1-4-21-16-9-15(23)17-14(22-16)2-5-24-17/h2,5-9,20H,1,3-4,10H2,(H2,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124803
PNG
(5-Bromo-2-ethoxy-3-{[3-(4-oxo-1,4-dihydro-quinolin...)
Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(Br)cc1C#N
Show InChI InChI=1S/C22H23BrN4O2/c1-2-29-22-15(13-24)10-17(23)11-16(22)14-25-8-5-9-26-21-12-20(28)18-6-3-4-7-19(18)27-21/h3-4,6-7,10-12,25H,2,5,8-9,14H2,1H3,(H2,26,27,28)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124825
PNG
(2-[3-(2-Ethoxy-3-hydroxymethyl-5-iodo-benzylamino)...)
Show SMILES CCOc1c(CO)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26IN3O3/c1-2-29-22-15(10-17(23)11-16(22)14-27)13-24-8-5-9-25-21-12-20(28)18-6-3-4-7-19(18)26-21/h3-4,6-7,10-12,24,27H,2,5,8-9,13-14H2,1H3,(H2,25,26,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124854
PNG
(2-[3-(3-Chloro-2-ethoxy-5-methoxy-benzylamino)-pro...)
Show SMILES CCOc1c(Cl)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26ClN3O3/c1-3-29-22-15(11-16(28-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124835
PNG
(2-[3-(6-Bromo-8-ethyl-1,2,3,4-tetrahydro-quinolin-...)
Show SMILES CCc1cc(Br)cc2C(CCNc12)NCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C23H27BrN4O/c1-2-15-12-16(24)13-18-19(8-11-27-23(15)18)25-9-5-10-26-22-14-21(29)17-6-3-4-7-20(17)28-22/h3-4,6-7,12-14,19,25,27H,2,5,8-11H2,1H3,(H2,26,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124817
PNG
(2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C21H23Br2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124824
PNG
(3-Bromo-4-ethoxy-5-{[3-(4-oxo-1,4-dihydro-quinolin...)
Show SMILES CCOc1c(Br)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N
Show InChI InChI=1S/C22H23BrN4O2/c1-2-29-22-16(10-15(13-24)11-18(22)23)14-25-8-5-9-26-21-12-20(28)17-6-3-4-7-19(17)27-21/h3-4,6-7,10-12,25H,2,5,8-9,14H2,1H3,(H2,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124813
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methylsulfanyl-benzylamin...)
Show SMILES CCOc1c(Br)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26BrN3O2S/c1-3-28-22-15(11-16(29-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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n/an/a 4.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149649
PNG
(2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1
Show InChI InChI=1S/C18H20Br2N4O2S/c1-2-26-15-11(8-12(19)9-13(15)20)10-21-5-3-6-22-18-23-14-4-7-27-16(14)17(25)24-18/h4,7-9,21H,2-3,5-6,10H2,1H3,(H2,22,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124800
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methyl-benzylamino)-propy...)
Show SMILES CCOc1c(Br)cc(C)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26BrN3O2/c1-3-28-22-16(11-15(2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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n/an/a 4.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149630
PNG
(CHEMBL182960 | N-(3,5-Dibromo-benzyl)-N''-(1H-imid...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C16H17Br2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124857
PNG
(2-[3-(2-Ethoxy-3-methyl-5-methylsulfanyl-benzylami...)
Show SMILES CCOc1c(C)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C23H29N3O2S/c1-4-28-23-16(2)12-18(29-3)13-17(23)15-24-10-7-11-25-22-14-21(27)19-8-5-6-9-20(19)26-22/h5-6,8-9,12-14,24H,4,7,10-11,15H2,1-3H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124801
PNG
(2-[3-(4,6-Dichloro-indan-1-ylamino)-propylamino]-1...)
Show SMILES Oc1cc(NCCCNC2CCc3c2cc(Cl)cc3Cl)nc2ccccc12
Show InChI InChI=1S/C21H21Cl2N3O/c22-13-10-16-14(17(23)11-13)6-7-18(16)24-8-3-9-25-21-12-20(27)15-4-1-2-5-19(15)26-21/h1-2,4-5,10-12,18,24H,3,6-9H2,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124850
PNG
(2-[3-(5-Bromo-2-ethoxy-3-methyl-benzylamino)-propy...)
Show SMILES CCOc1c(C)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26BrN3O2/c1-3-28-22-15(2)11-17(23)12-16(22)14-24-9-6-10-25-21-13-20(27)18-7-4-5-8-19(18)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124819
PNG
(2-[3-(5-Bromo-2-ethoxy-3-iodo-benzylamino)-propyla...)
Show SMILES CCOc1c(I)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C21H23BrIN3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124852
PNG
(2-[3-(5,7-Dichloro-2,3-dihydro-benzofuran-3-ylamin...)
Show SMILES Oc1cc(NCCCNC2COc3c2cc(Cl)cc3Cl)nc2ccccc12
Show InChI InChI=1S/C20H19Cl2N3O2/c21-12-8-14-17(11-27-20(14)15(22)9-12)23-6-3-7-24-19-10-18(26)13-4-1-2-5-16(13)25-19/h1-2,4-5,8-10,17,23H,3,6-7,11H2,(H2,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149643
PNG
(6-[3-(3,5-Dibromo-benzylamino)-propylamino]-7H-thi...)
Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2sccc12
Show InChI InChI=1S/C17H17Br2N3OS/c18-12-6-11(7-13(19)8-12)10-20-3-1-4-21-16-9-15(23)14-2-5-24-17(14)22-16/h2,5-9,20H,1,3-4,10H2,(H2,21,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50409933
PNG
(CHEMBL2096779)
Show SMILES Brc1cc(Br)c2NCC[C@@H](NCCCNc3nc4ncccc4[nH]3)c2c1
Show InChI InChI=1S/C18H20Br2N6/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26)/t14-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124827
PNG
(2-[3-(3,5-Diiodo-benzylamino)-propylamino]-1H-quin...)
Show SMILES Oc1cc(NCCCNCc2cc(I)cc(I)c2)nc2ccccc12
Show InChI InChI=1S/C19H19I2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)
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n/an/a 6.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124810
PNG
(2-[3-(5-Chloro-2-ethoxy-3-methyl-benzylamino)-prop...)
Show SMILES CCOc1c(C)cc(Cl)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26ClN3O2/c1-3-28-22-15(2)11-17(23)12-16(22)14-24-9-6-10-25-21-13-20(27)18-7-4-5-8-19(18)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124858
PNG
(2-[3-(2-Ethoxy-3-methyl-5-trifluoromethyl-benzylam...)
Show SMILES CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-3-31-22-15(2)11-17(23(24,25)26)12-16(22)14-27-9-6-10-28-21-13-20(30)18-7-4-5-8-19(18)29-21/h4-5,7-8,11-13,27H,3,6,9-10,14H2,1-2H3,(H2,28,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Homo sapiens)
BDBM50366860
PNG
(CHEMBL603509)
Show SMILES CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,10+,11+,15?/m0/s1
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Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Methionyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149648
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C21H25BrN4O3/c1-3-29-19-14(11-15(28-2)12-17(19)22)13-23-9-6-10-24-21-25-18-8-5-4-7-16(18)20(27)26-21/h4-5,7-8,11-12,23H,3,6,9-10,13H2,1-2H3,(H2,24,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124844
PNG
(2-[3-(2-Ethoxy-3-iodo-5-methyl-benzylamino)-propyl...)
Show SMILES CCOc1c(I)cc(C)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26IN3O2/c1-3-28-22-16(11-15(2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124830
PNG
(2-[3-(2-Allyloxy-3,5-dichloro-benzylamino)-propyla...)
Show SMILES Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2OCC=C)nc2ccccc12
Show InChI InChI=1S/C22H23Cl2N3O2/c1-2-10-29-22-15(11-16(23)12-18(22)24)14-25-8-5-9-26-21-13-20(28)17-6-3-4-7-19(17)27-21/h2-4,6-7,11-13,25H,1,5,8-10,14H2,(H2,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124802
PNG
(2-(3-(6,8-dibromo-3,4-dihydro-2H-chromen-4-ylamino...)
Show SMILES Oc1cc(NCCCNC2CCOc3c(Br)cc(Br)cc23)nc2ccccc12
Show InChI InChI=1S/C21H21Br2N3O2/c22-13-10-15-17(6-9-28-21(15)16(23)11-13)24-7-3-8-25-20-12-19(27)14-4-1-2-5-18(14)26-20/h1-2,4-5,10-12,17,24H,3,6-9H2,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124848
PNG
(2-[3-(8-Bromo-6-methyl-1,2,3,4-tetrahydro-quinolin...)
Show SMILES Cc1cc(Br)c2NCCC(NCCCNc3cc(O)c4ccccc4n3)c2c1
Show InChI InChI=1S/C22H25BrN4O/c1-14-11-16-18(7-10-26-22(16)17(23)12-14)24-8-4-9-25-21-13-20(28)15-5-2-3-6-19(15)27-21/h2-3,5-6,11-13,18,24,26H,4,7-10H2,1H3,(H2,25,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50112575
PNG
(2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...)
Show SMILES Oc1cc(NCCCNC2CCNc3c(Br)cc(Br)cc23)nc2ccccc12
Show InChI InChI=1S/C21H22Br2N4O/c22-13-10-15-17(6-9-26-21(15)16(23)11-13)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149635
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-qui...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H18Br2N4O/c19-13-8-12(9-14(20)10-13)11-21-6-3-7-22-18-23-16-5-2-1-4-15(16)17(25)24-18/h1-2,4-5,8-10,21H,3,6-7,11H2,(H2,22,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149637
PNG
(2-[3-(6-Bromo-8-chloro-1,2,3,4-tetrahydro-quinolin...)
Show SMILES Clc1cc(Br)cc2C(CCNc12)NCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H21BrClN5O/c21-12-10-14-16(6-9-24-18(14)15(22)11-12)23-7-3-8-25-20-26-17-5-2-1-4-13(17)19(28)27-20/h1-2,4-5,10-11,16,23-24H,3,6-9H2,(H2,25,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124798
PNG
(2-[3-(3-Bromo-2-ethoxy-5-iodo-benzylamino)-propyla...)
Show SMILES CCOc1c(Br)cc(I)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C21H23BrIN3O2/c1-2-28-21-14(10-15(23)11-17(21)22)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)
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n/an/a 8.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124859
PNG
(2-[3-(2,5-Dichloro-benzylamino)-propylamino]-1H-qu...)
Show SMILES Oc1cc(NCCCNCc2cc(Cl)ccc2Cl)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3O/c20-14-6-7-16(21)13(10-14)12-22-8-3-9-23-19-11-18(25)15-4-1-2-5-17(15)24-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H2,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124855
PNG
(2-[3-(2-Amino-3,5-dibromo-benzylamino)-propylamino...)
Show SMILES Nc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C19H20Br2N4O/c20-13-8-12(19(22)15(21)9-13)11-23-6-3-7-24-18-10-17(26)14-4-1-2-5-16(14)25-18/h1-2,4-5,8-10,23H,3,6-7,11,22H2,(H2,24,25,26)
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n/an/a 9.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124840
PNG
(2-[3-(6-Bromo-8-methyl-1,2,3,4-tetrahydro-quinolin...)
Show SMILES Cc1cc(Br)cc2C(CCNc12)NCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H25BrN4O/c1-14-11-15(23)12-17-18(7-10-26-22(14)17)24-8-4-9-25-21-13-20(28)16-5-2-3-6-19(16)27-21/h2-3,5-6,11-13,18,24,26H,4,7-10H2,1H3,(H2,25,27,28)
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n/an/a 9.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124829
PNG
(2-[3-(6-Chloro-8-iodo-chroman-4-ylamino)-propylami...)
Show SMILES Oc1cc(NCCCNC2CCOc3c(I)cc(Cl)cc23)nc2ccccc12
Show InChI InChI=1S/C21H21ClIN3O2/c22-13-10-15-17(6-9-28-21(15)16(23)11-13)24-7-3-8-25-20-12-19(27)14-4-1-2-5-18(14)26-20/h1-2,4-5,10-12,17,24H,3,6-9H2,(H2,25,26,27)
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n/an/a 9.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124828
PNG
(2-[3-(2-Ethoxy-5-iodo-3-methoxymethyl-benzylamino)...)
Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1COC
Show InChI InChI=1S/C23H28IN3O3/c1-3-30-23-16(11-18(24)12-17(23)15-29-2)14-25-9-6-10-26-22-13-21(28)19-7-4-5-8-20(19)27-22/h4-5,7-8,11-13,25H,3,6,9-10,14-15H2,1-2H3,(H2,26,27,28)
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n/an/a 9.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149625
PNG
(2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H22Br2N4O2/c1-2-28-18-13(10-14(21)11-16(18)22)12-23-8-5-9-24-20-25-17-7-4-3-6-15(17)19(27)26-20/h3-4,6-7,10-11,23H,2,5,8-9,12H2,1H3,(H2,24,25,26,27)
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n/an/a 9.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50124845
PNG
(2-{3-[3,5-Dibromo-2-(2,2,2-trifluoro-ethoxy)-benzy...)
Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2OCC(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C21H20Br2F3N3O2/c22-14-8-13(20(16(23)9-14)31-12-21(24,25)26)11-27-6-3-7-28-19-10-18(30)15-4-1-2-5-17(15)29-19/h1-2,4-5,8-10,27H,3,6-7,11-12H2,(H2,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay


Bioorg Med Chem Lett 13: 665-8 (2003)

More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149644
PNG
(CHEMBL182225 | N-(6,8-Dibromo-1,2,3,4-tetrahydro-q...)
Show SMILES Brc1cc(Br)c2NCCC(NCCCNc3nc4ncccc4[nH]3)c2c1
Show InChI InChI=1S/C18H20Br2N6/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26)
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PubMed
n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Citation and Details
More data for this
Ligand-Target Pair
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