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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with Target = 'Methionyl-tRNA synthetase ' AND taxid = 83333   
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


(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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PubMed
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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n/an/a 3.10n/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))
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)
PDB
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n/an/a 3.20n/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))
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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n/an/a 3.20n/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))
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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n/an/a 3.30n/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))
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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n/an/a 3.80n/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))
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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n/an/a 3.90n/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


(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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n/an/a 4.10n/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))
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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n/an/a 4.30n/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))
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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n/an/a 4.30n/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))
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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n/an/a 4.40n/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))
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)
PDB
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n/an/a 4.60n/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))
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


(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


(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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n/an/a 5.10n/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))
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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n/an/a 5.10n/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))
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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n/an/a 5.70n/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


(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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n/an/a 5.90n/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


(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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PubMed
n/an/a 6n/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))
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))
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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n/an/a 6.80n/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))
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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n/an/a 6.80n/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))
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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n/an/a 7.20n/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))
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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n/an/a 7.20n/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))
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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n/an/a 7.80n/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))
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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n/an/a 8n/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))
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 8n/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))
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))
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


(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))
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))
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


(Escherichia coli (strain K12))
BDBM50124805
PNG
(2-[3-(3,5-Dibromo-2-methylamino-benzylamino)-propy...)
Show SMILES CNc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C20H22Br2N4O/c1-23-20-13(9-14(21)10-16(20)22)12-24-7-4-8-25-19-11-18(27)15-5-2-3-6-17(15)26-19/h2-3,5-6,9-11,23-24H,4,7-8,12H2,1H3,(H2,25,26,27)
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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


(Escherichia coli (strain K12))
BDBM50112577
PNG
(2-[3-(6-Ethyl-8-iodo-1,2,3,4-tetrahydro-quinolin-4...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3cc(O)c4ccccc4n3)c2c1
Show InChI InChI=1S/C23H27IN4O/c1-2-15-12-17-19(8-11-27-23(17)18(24)13-15)25-9-5-10-26-22-14-21(29)16-6-3-4-7-20(16)28-22/h3-4,6-7,12-14,19,25,27H,2,5,8-11H2,1H3,(H2,26,28,29)
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n/an/a 12n/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))
BDBM50124842
PNG
(2-[3-(8-Chloro-6-iodo-chroman-4-ylamino)-propylami...)
Show SMILES Oc1cc(NCCCNC2CCOc3c(Cl)cc(I)cc23)nc2ccccc12
Show InChI InChI=1S/C21H21ClIN3O2/c22-16-11-13(23)10-15-17(6-9-28-21(15)16)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))
BDBM50124831
PNG
(2-[3-(2-Ethoxy-5-iodo-3-methoxy-benzylamino)-propy...)
Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(I)cc1OC
Show InChI InChI=1S/C22H26IN3O3/c1-3-29-22-15(11-16(23)12-20(22)28-2)14-24-9-6-10-25-21-13-19(27)17-7-4-5-8-18(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))
BDBM50124860
PNG
(2-[3-(5-Bromo-2-ethoxy-3-methoxy-benzylamino)-prop...)
Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(Br)cc1OC
Show InChI InChI=1S/C22H26BrN3O3/c1-3-29-22-15(11-16(23)12-20(22)28-2)14-24-9-6-10-25-21-13-19(27)17-7-4-5-8-18(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 13n/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))
BDBM50124818
PNG
(2-[3-(2-Ethoxy-5-hydroxymethyl-3-iodo-benzylamino)...)
Show SMILES CCOc1c(I)cc(CO)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C22H26IN3O3/c1-2-29-22-16(10-15(14-27)11-18(22)23)13-24-8-5-9-25-21-12-20(28)17-6-3-4-7-19(17)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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n/an/a 14n/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))
BDBM50124797
PNG
(2-[3-(3,5-Dichloro-2-ethoxy-benzylamino)-propylami...)
Show SMILES CCOc1c(Cl)cc(Cl)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C21H23Cl2N3O2/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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n/an/a 14n/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))
BDBM50124799
PNG
(2-[3-(2,4-Dichloro-benzylamino)-propylamino]-1H-qu...)
Show SMILES Oc1cc(NCCCNCc2ccc(Cl)cc2Cl)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3O/c20-14-7-6-13(16(21)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 15n/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))
BDBM50124812
PNG
(2-[3-(2,3-Dichloro-benzylamino)-propylamino]-1H-qu...)
Show SMILES Oc1cc(NCCCNCc2cccc(Cl)c2Cl)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3O/c20-15-7-3-5-13(19(15)21)12-22-9-4-10-23-18-11-17(25)14-6-1-2-8-16(14)24-18/h1-3,5-8,11,22H,4,9-10,12H2,(H2,23,24,25)
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n/an/a 15n/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))
BDBM50112576
PNG
(2-(3-(3,4-dichlorobenzylamino)propylamino)quinolin...)
Show SMILES Oc1cc(NCCCNCc2ccc(Cl)c(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3O/c20-15-7-6-13(10-16(15)21)12-22-8-3-9-23-19-11-18(25)14-4-1-2-5-17(14)24-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H2,23,24,25)
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n/an/a 16n/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))
BDBM50124853
PNG
(2-[3-(2-Ethoxy-3-iodo-5-methoxymethyl-benzylamino)...)
Show SMILES CCOc1c(I)cc(COC)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C23H28IN3O3/c1-3-30-23-17(11-16(15-29-2)12-19(23)24)14-25-9-6-10-26-22-13-21(28)18-7-4-5-8-20(18)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 17n/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))
BDBM50124815
PNG
(2-[3-(3,5-Dibromo-2-ethylamino-benzylamino)-propyl...)
Show SMILES CCNc1c(Br)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C21H24Br2N4O/c1-2-25-21-14(10-15(22)11-17(21)23)13-24-8-5-9-26-20-12-19(28)16-6-3-4-7-18(16)27-20/h3-4,6-7,10-12,24-25H,2,5,8-9,13H2,1H3,(H2,26,27,28)
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n/an/a 18n/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))
BDBM50124836
PNG
(2-Ethoxy-5-iodo-3-{[3-(4-oxo-1,4-dihydro-quinolin-...)
Show SMILES CCOC(=O)c1cc(I)cc(CNCCCNc2cc(O)c3ccccc3n2)c1OCC
Show InChI InChI=1S/C24H28IN3O4/c1-3-31-23-16(12-17(25)13-19(23)24(30)32-4-2)15-26-10-7-11-27-22-14-21(29)18-8-5-6-9-20(18)28-22/h5-6,8-9,12-14,26H,3-4,7,10-11,15H2,1-2H3,(H2,27,28,29)
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n/an/a 21n/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))
BDBM50124814
PNG
(2-[3-(5-Bromo-2-ethoxy-3-methylsulfanyl-benzylamin...)
Show SMILES CCOc1c(CNCCCNc2cc(O)c3ccccc3n2)cc(Br)cc1SC
Show InChI InChI=1S/C22H26BrN3O2S/c1-3-28-22-15(11-16(23)12-20(22)29-2)14-24-9-6-10-25-21-13-19(27)17-7-4-5-8-18(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 21n/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))
BDBM50124837
PNG
(2-[3-(6,8-Dichloro-1,2,3,4-tetrahydro-quinolin-4-y...)
Show SMILES Oc1cc(NCCCNC2CCNc3c(Cl)cc(Cl)cc23)nc2ccccc12
Show InChI InChI=1S/C21H22Cl2N4O/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 23n/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
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