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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'armstrong' and Initial = 'sa'   
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
Methionine--tRNA ligase


(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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n/an/a 3.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 4.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 6.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50409933
PNG
(CHEMBL2096779)
Show SMILES Brc1cc(Br)c2NCC[C@@H](NCCCNc3nc4ncccc4[nH]3)c2c1 |r|
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


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 8.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 8.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(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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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149617
PNG
(CHEMBL361649 | N-(1H-Benzoimidazol-2-yl)-N''-(6,8-...)
Show SMILES Brc1cc(Br)c2NCCC(NCCCNc3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C19H21Br2N5/c20-12-10-13-15(6-9-23-18(13)14(21)11-12)22-7-3-8-24-19-25-16-4-1-2-5-17(16)26-19/h1-2,4-5,10-11,15,22-23H,3,6-9H2,(H2,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149640
PNG
(2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...)
Show SMILES Brc1cc(Br)c2NCCC(NCCCNc3nc4ccsc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C18H19Br2N5OS/c19-10-8-11-13(2-6-22-15(11)12(20)9-10)21-4-1-5-23-18-24-14-3-7-27-16(14)17(26)25-18/h3,7-9,13,21-22H,1-2,4-6H2,(H2,23,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149639
PNG
(CHEMBL183110 | N-(1H-Benzoimidazol-2-yl)-N''-(6-et...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H26IN5/c1-2-14-12-15-17(8-11-24-20(15)16(22)13-14)23-9-5-10-25-21-26-18-6-3-4-7-19(18)27-21/h3-4,6-7,12-13,17,23-24H,2,5,8-11H2,1H3,(H2,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149615
PNG
(2-[3-(6-Ethyl-8-iodo-1,2,3,4-tetrahydro-quinolin-4...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ccccc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C22H26IN5O/c1-2-14-12-16-18(8-11-25-20(16)17(23)13-14)24-9-5-10-26-22-27-19-7-4-3-6-15(19)21(29)28-22/h3-4,6-7,12-13,18,24-25H,2,5,8-11H2,1H3,(H2,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149627
PNG
(CHEMBL180309 | N-(1H-Benzoimidazol-2-yl)-N''-(3,5-...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H22Br2N4O/c1-2-26-18-13(10-14(20)11-15(18)21)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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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149632
PNG
(CHEMBL185486 | N-(1H-Benzoimidazol-2-yl)-N''-(3-br...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H25BrN4O2/c1-3-27-19-14(11-15(26-2)12-16(19)21)13-22-9-6-10-23-20-24-17-7-4-5-8-18(17)25-20/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3,(H2,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149619
PNG
(CHEMBL182821 | N-(6-Ethyl-8-iodo-1,2,3,4-tetrahydr...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ncccc4[nH]3)c2c1
Show InChI InChI=1S/C20H25IN6/c1-2-13-11-14-16(6-10-23-18(14)15(21)12-13)22-8-4-9-25-20-26-17-5-3-7-24-19(17)27-20/h3,5,7,11-12,16,22-23H,2,4,6,8-10H2,1H3,(H2,24,25,26,27)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149622
PNG
(CHEMBL182263 | N-(1H-Benzoimidazol-2-yl)-N''-(3,5-...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C17H18Br2N4/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17-22-15-4-1-2-5-16(15)23-17/h1-2,4-5,8-10,20H,3,6-7,11H2,(H2,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149641
PNG
(2-[3-(3,4-Dichloro-benzylamino)-propoxy]-1H-quinol...)
Show SMILES Oc1cc(OCCCNCc2ccc(Cl)c(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C19H18Cl2N2O2/c20-15-7-6-13(10-16(15)21)12-22-8-3-9-25-19-11-18(24)14-4-1-2-5-17(14)23-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H,23,24)
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149629
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-ind...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2[nH]c3ccccc3c2C#N)c1
Show InChI InChI=1S/C19H18Br2N4/c20-14-8-13(9-15(21)10-14)12-23-6-3-7-24-19-17(11-22)16-4-1-2-5-18(16)25-19/h1-2,4-5,8-10,23-25H,3,6-7,12H2
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n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149642
PNG
(CHEMBL181657 | N-Quinolin-2-yl-N''-(2,3,5-trichlor...)
Show SMILES Clc1cc(Cl)c(Cl)c(CNCCCNc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C19H18Cl3N3/c20-15-10-14(19(22)16(21)11-15)12-23-8-3-9-24-18-7-6-13-4-1-2-5-17(13)25-18/h1-2,4-7,10-11,23H,3,8-9,12H2,(H,24,25)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149618
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-thi...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3sccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H16Br2N4OS/c17-11-6-10(7-12(18)8-11)9-19-3-1-4-20-16-21-14(23)13-2-5-24-15(13)22-16/h2,5-8,19H,1,3-4,9H2,(H2,20,21,22,23)
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n/an/a 150n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149631
PNG
(1-[3-(3,5-Dibromo-benzylamino)-propyl]-3-phenyl-ur...)
Show SMILES Brc1cc(Br)cc(CNCCCNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C17H19Br2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)
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n/an/a 330n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149620
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1,5,6,...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3CCCc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H20Br2N4O/c18-12-7-11(8-13(19)9-12)10-20-5-2-6-21-17-22-15-4-1-3-14(15)16(24)23-17/h7-9,20H,1-6,10H2,(H2,21,22,23,24)
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n/an/a 580n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149633
PNG
(2-[3-(3,4-Dichloro-benzylamino)-propylsulfanyl]-1H...)
Show SMILES Oc1cc(SCCCNCc2ccc(Cl)c(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C19H18Cl2N2OS/c20-15-7-6-13(10-16(15)21)12-22-8-3-9-25-19-11-18(24)14-4-1-2-5-17(14)23-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H,23,24)
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n/an/a 680n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149628
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-6-phen...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc(cc(=O)[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C20H20Br2N4O/c21-16-9-14(10-17(22)11-16)13-23-7-4-8-24-20-25-18(12-19(27)26-20)15-5-2-1-3-6-15/h1-3,5-6,9-12,23H,4,7-8,13H2,(H2,24,25,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149621
PNG
(2-[3-(2,3,5-Trichloro-benzylamino)-propylamino]-ch...)
Show SMILES Clc1cc(Cl)c(Cl)c(CNCCCNc2cc(=O)c3ccccc3o2)c1
Show InChI InChI=1S/C19H17Cl3N2O2/c20-13-8-12(19(22)15(21)9-13)11-23-6-3-7-24-18-10-16(25)14-4-1-2-5-17(14)26-18/h1-2,4-5,8-10,23-24H,3,6-7,11H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))
BDBM50149626
PNG
(3-[3-(2,3,5-Trichloro-benzylamino)-propylamino]-na...)
Show SMILES Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)cc2ccccc12
Show InChI InChI=1S/C20H19Cl3N2O/c21-15-8-14(20(23)18(22)10-15)12-24-6-3-7-25-16-9-13-4-1-2-5-17(13)19(26)11-16/h1-2,4-5,8-11,24-26H,3,6-7,12H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair