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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with Target = 'tRNA synthetase (PheRS)' AND taxid = 71421   
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
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18116
PNG
(2-[2-({[(2R)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...)
Show SMILES OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m1/s1
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n/an/a 3.70n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18093
PNG
(2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES OCCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2
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n/an/a 8n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18098
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(4-bromot...)
Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1
Show InChI InChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2
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n/an/a 10n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18102
PNG
(1-(4-bromothiophen-2-yl)-2-({[2-(pyridin-4-ylmetho...)
Show SMILES OC(CNCc1ccccc1OCc1ccncc1)c1cc(Br)cs1
Show InChI InChI=1S/C19H19BrN2O2S/c20-16-9-19(25-13-16)17(23)11-22-10-15-3-1-2-4-18(15)24-12-14-5-7-21-8-6-14/h1-9,13,17,22-23H,10-12H2
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n/an/a 16n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18097
PNG
(1-(4-bromothiophen-2-yl)-2-({[2-(prop-2-en-1-yloxy...)
Show SMILES OC(CNCc1ccccc1OCC=C)c1cc(Br)cs1
Show InChI InChI=1S/C16H18BrNO2S/c1-2-7-20-15-6-4-3-5-12(15)9-18-10-14(19)16-8-13(17)11-21-16/h2-6,8,11,14,18-19H,1,7,9-10H2
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n/an/a 18n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18096
PNG
(1-(4-bromothiophen-2-yl)-2-[({2-[2-(morpholin-4-yl...)
Show SMILES OC(CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1
Show InChI InChI=1S/C19H25BrN2O3S/c20-16-11-19(26-14-16)17(23)13-21-12-15-3-1-2-4-18(15)25-10-7-22-5-8-24-9-6-22/h1-4,11,14,17,21,23H,5-10,12-13H2
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n/an/a 18n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18101
PNG
(1-(4-bromothiophen-2-yl)-2-({[2-(pyridin-3-ylmetho...)
Show SMILES OC(CNCc1ccccc1OCc1cccnc1)c1cc(Br)cs1
Show InChI InChI=1S/C19H19BrN2O2S/c20-16-8-19(25-13-16)17(23)11-22-10-15-5-1-2-6-18(15)24-12-14-4-3-7-21-9-14/h1-9,13,17,22-23H,10-12H2
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n/an/a 18n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18114
PNG
(2-({[2-(4-aminobutoxy)phenyl]methyl}amino)-1-(4-br...)
Show SMILES NCCCCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C17H23BrN2O2S/c18-14-9-17(23-12-14)15(21)11-20-10-13-5-1-2-6-16(13)22-8-4-3-7-19/h1-2,5-6,9,12,15,20-21H,3-4,7-8,10-11,19H2
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n/an/a 22n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18110
PNG
(3-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CN(CCO)C(=O)CCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C19H25BrN2O4S/c1-22(7-8-23)19(25)6-9-26-17-5-3-2-4-14(17)11-21-12-16(24)18-10-15(20)13-27-18/h2-5,10,13,16,21,23-24H,6-9,11-12H2,1H3
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n/an/a 25n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18113
PNG
(4-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CN(CCO)C(=O)CCCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C20H27BrN2O4S/c1-23(8-9-24)20(26)7-4-10-27-18-6-3-2-5-15(18)12-22-13-17(25)19-11-16(21)14-28-19/h2-3,5-6,11,14,17,22,24-25H,4,7-10,12-13H2,1H3
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n/an/a 26n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18103
PNG
(2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]meth...)
Show SMILES OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
Show InChI InChI=1S/C21H20BrN3O2S/c22-15-9-20(28-13-15)18(26)11-23-10-14-5-1-4-8-19(14)27-12-21-24-16-6-2-3-7-17(16)25-21/h1-9,13,18,23,26H,10-12H2,(H,24,25)
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n/an/a 26n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18099
PNG
(1-(4-bromothiophen-2-yl)-2-[({2-[(4-methanesulfony...)
Show SMILES CS(=O)(=O)c1ccc(COc2ccccc2CNCC(O)c2cc(Br)cs2)cc1
Show InChI InChI=1S/C21H22BrNO4S2/c1-29(25,26)18-8-6-15(7-9-18)13-27-20-5-3-2-4-16(20)11-23-12-19(24)21-10-17(22)14-28-21/h2-10,14,19,23-24H,11-13H2,1H3
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n/an/a 26n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18112
PNG
(4-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CNC(=O)CNC(=O)CCCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C20H26BrN3O4S/c1-22-20(27)12-24-19(26)7-4-8-28-17-6-3-2-5-14(17)10-23-11-16(25)18-9-15(21)13-29-18/h2-3,5-6,9,13,16,23,25H,4,7-8,10-12H2,1H3,(H,22,27)(H,24,26)
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n/an/a 30n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18085
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(3-chloro...)
Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClNO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2
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n/an/a 31n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18086
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(3-iodoph...)
Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1
Show InChI InChI=1S/C22H22INO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2
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n/an/a 32n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18105
PNG
(2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CCNC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C17H21BrN2O3S/c1-2-20-17(22)10-23-15-6-4-3-5-12(15)8-19-9-14(21)16-7-13(18)11-24-16/h3-7,11,14,19,21H,2,8-10H2,1H3,(H,20,22)
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n/an/a 32n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18091
PNG
(1-(4-bromothiophen-2-yl)-2-({[2-(methoxymethoxy)ph...)
Show SMILES COCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c1-19-10-20-14-5-3-2-4-11(14)7-17-8-13(18)15-6-12(16)9-21-15/h2-6,9,13,17-18H,7-8,10H2,1H3
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n/an/a 35n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18109
PNG
(3-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CNC(=O)CNC(=O)CCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C19H24BrN3O4S/c1-21-19(26)11-23-18(25)6-7-27-16-5-3-2-4-13(16)9-22-10-15(24)17-8-14(20)12-28-17/h2-5,8,12,15,22,24H,6-7,9-11H2,1H3,(H,21,26)(H,23,25)
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n/an/a 36n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18104
PNG
(2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES NC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C15H17BrN2O3S/c16-11-5-14(22-9-11)12(19)7-18-6-10-3-1-2-4-13(10)21-8-15(17)20/h1-5,9,12,18-19H,6-8H2,(H2,17,20)
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n/an/a 42n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18100
PNG
(1-(4-bromothiophen-2-yl)-2-({[2-(pyridin-2-ylmetho...)
Show SMILES OC(CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1
Show InChI InChI=1S/C19H19BrN2O2S/c20-15-9-19(25-13-15)17(23)11-21-10-14-5-1-2-7-18(14)24-12-16-6-3-4-8-22-16/h1-9,13,17,21,23H,10-12H2
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n/an/a 43n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18111
PNG
(4-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES OC(CNCc1ccccc1OCCCC(O)=O)c1cc(Br)cs1
Show InChI InChI=1S/C17H20BrNO4S/c18-13-8-16(24-11-13)14(20)10-19-9-12-4-1-2-5-15(12)23-7-3-6-17(21)22/h1-2,4-5,8,11,14,19-20H,3,6-7,9-10H2,(H,21,22)
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n/an/a 43n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18092
PNG
(2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES OC(CNCc1ccccc1OCC#N)c1cc(Br)cs1
Show InChI InChI=1S/C15H15BrN2O2S/c16-12-7-15(21-10-12)13(19)9-18-8-11-3-1-2-4-14(11)20-6-5-17/h1-4,7,10,13,18-19H,6,8-9H2
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n/an/a 49n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18089
PNG
(1-(4-bromothiophen-2-yl)-2-{[(2-methoxyphenyl)meth...)
Show SMILES COc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C14H16BrNO2S/c1-18-13-5-3-2-4-10(13)7-16-8-12(17)14-6-11(15)9-19-14/h2-6,9,12,16-17H,7-8H2,1H3
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n/an/a 50n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18081
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-[3-(trifl...)
Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO2/c24-23(25,26)20-11-6-10-18(13-20)21(28)15-27-14-19-9-4-5-12-22(19)29-16-17-7-2-1-3-8-17/h1-13,21,27-28H,14-16H2
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n/an/a 50n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Haemophilus influenzae)
BDBM18116
PNG
(2-[2-({[(2R)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...)
Show SMILES OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m1/s1
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n/an/a 56n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18108
PNG
(3-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES OC(CNCc1ccccc1OCCC(O)=O)c1cc(Br)cs1
Show InChI InChI=1S/C16H18BrNO4S/c17-12-7-15(23-10-12)13(19)9-18-8-11-3-1-2-4-14(11)22-6-5-16(20)21/h1-4,7,10,13,18-19H,5-6,8-9H2,(H,20,21)
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n/an/a 58n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18080
PNG
(2-({[2-(prop-2-en-1-yloxy)phenyl]methyl}amino)-1-[...)
Show SMILES OC(CNCc1ccccc1OCC=C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H20F3NO2/c1-2-10-25-18-9-4-3-6-15(18)12-23-13-17(24)14-7-5-8-16(11-14)19(20,21)22/h2-9,11,17,23-24H,1,10,12-13H2
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n/an/a 58n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18115
PNG
(2-{4-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl...)
Show SMILES OC(CNCc1ccccc1OCCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)cs1
Show InChI InChI=1S/C25H25BrN2O4S/c26-18-13-23(33-16-18)21(29)15-27-14-17-7-1-4-10-22(17)32-12-6-5-11-28-24(30)19-8-2-3-9-20(19)25(28)31/h1-4,7-10,13,16,21,27,29H,5-6,11-12,14-15H2
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n/an/a 69n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18087
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(3-methox...)
Show SMILES COc1cccc(c1)C(O)CNCc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C23H25NO3/c1-26-21-12-7-11-19(14-21)22(25)16-24-15-20-10-5-6-13-23(20)27-17-18-8-3-2-4-9-18/h2-14,22,24-25H,15-17H2,1H3
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n/an/a 83n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18077
PNG
(2-[({2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}...)
Show SMILES OC(CNCc1ccccc1O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c17-16(18,19)13-6-3-5-11(8-13)15(22)10-20-9-12-4-1-2-7-14(12)21/h1-8,15,20-22H,9-10H2
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n/an/a 100n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18083
PNG
(2-{[(2-methoxyphenyl)methyl]amino}-1-(3-methylphen...)
Show SMILES COc1ccccc1CNCC(O)c1cccc(C)c1
Show InChI InChI=1S/C17H21NO2/c1-13-6-5-8-14(10-13)16(19)12-18-11-15-7-3-4-9-17(15)20-2/h3-10,16,18-19H,11-12H2,1-2H3
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n/an/a 110n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18082
PNG
(1-(3-bromophenyl)-2-{[(2-methoxyphenyl)methyl]amin...)
Show SMILES COc1ccccc1CNCC(O)c1cccc(Br)c1
Show InChI InChI=1S/C16H18BrNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3
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n/an/a 110n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18107
PNG
(2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CN(CCO)C(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C18H23BrN2O4S/c1-21(6-7-22)18(24)11-25-16-5-3-2-4-13(16)9-20-10-15(23)17-8-14(19)12-26-17/h2-5,8,12,15,20,22-23H,6-7,9-11H2,1H3
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n/an/a 110n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18090
PNG
(1-(4-bromothiophen-2-yl)-2-{[(2-phenoxyphenyl)meth...)
Show SMILES OC(CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1
Show InChI InChI=1S/C19H18BrNO2S/c20-15-10-19(24-13-15)17(22)12-21-11-14-6-4-5-9-18(14)23-16-7-2-1-3-8-16/h1-10,13,17,21-22H,11-12H2
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n/an/a 120n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18106
PNG
(2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES CNC(=O)CNC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C18H22BrN3O4S/c1-20-17(24)9-22-18(25)10-26-15-5-3-2-4-12(15)7-21-8-14(23)16-6-13(19)11-27-16/h2-6,11,14,21,23H,7-10H2,1H3,(H,20,24)(H,22,25)
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n/an/a 120n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Haemophilus influenzae)
BDBM18103
PNG
(2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]meth...)
Show SMILES OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
Show InChI InChI=1S/C21H20BrN3O2S/c22-15-9-20(28-13-15)18(26)11-23-10-14-5-1-4-8-19(14)27-12-21-24-16-6-2-3-7-17(16)25-21/h1-9,13,18,23,26H,10-12H2,(H,24,25)
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n/an/a 150n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18079
PNG
(2-{[(2-methoxyphenyl)methyl]amino}-1-[3-(trifluoro...)
Show SMILES COc1ccccc1CNCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3NO2/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3
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n/an/a 160n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18072
PNG
(2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan...)
Show SMILES OC(CNCc1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-9,15,20-21H,10-11H2
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n/an/a 160n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18084
PNG
(2-{[(2-methoxyphenyl)methyl]amino}-1-[3-(trifluoro...)
Show SMILES COc1ccccc1CNCC(O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H18F3NO3/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)24-17(18,19)20/h2-9,15,21-22H,10-11H2,1H3
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n/an/a 190n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Streptococcus pneumoniae)
BDBM18116
PNG
(2-[2-({[(2R)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...)
Show SMILES OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m1/s1
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n/an/a 190n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18094
PNG
(2-({[2-(2-aminoethoxy)phenyl]methyl}amino)-1-(4-br...)
Show SMILES NCCOc1ccccc1CNCC(O)c1cc(Br)cs1
Show InChI InChI=1S/C15H19BrN2O2S/c16-12-7-15(21-10-12)13(19)9-18-8-11-3-1-2-4-14(11)20-6-5-17/h1-4,7,10,13,18-19H,5-6,8-9,17H2
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n/an/a 220n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Streptococcus pneumoniae)
BDBM18103
PNG
(2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]meth...)
Show SMILES OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
Show InChI InChI=1S/C21H20BrN3O2S/c22-15-9-20(28-13-15)18(26)11-23-10-14-5-1-4-8-19(14)27-12-21-24-16-6-2-3-7-17(16)25-21/h1-9,13,18,23,26H,10-12H2,(H,24,25)
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n/an/a 250n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18095
PNG
(2-{2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl...)
Show SMILES OC(CNCc1ccccc1OCCN1C(=O)c2ccccc2C1=O)c1cc(Br)cs1
Show InChI InChI=1S/C23H21BrN2O4S/c24-16-11-21(31-14-16)19(27)13-25-12-15-5-1-4-8-20(15)30-10-9-26-22(28)17-6-2-3-7-18(17)23(26)29/h1-8,11,14,19,25,27H,9-10,12-13H2
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n/an/a 250n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18078
PNG
(2-({[2-(difluoromethoxy)phenyl]methyl}amino)-1-[3-...)
Show SMILES OC(CNCc1ccccc1OC(F)F)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F5NO2/c18-16(19)25-15-7-2-1-4-12(15)9-23-10-14(24)11-5-3-6-13(8-11)17(20,21)22/h1-8,14,16,23-24H,9-10H2
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n/an/a 260n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Streptococcus pneumoniae)
BDBM18098
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(4-bromot...)
Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1
Show InChI InChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2
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n/an/a 280n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18088
PNG
(2-({[2-(benzyloxy)phenyl]methyl}amino)-1-[3-(hydro...)
Show SMILES OCc1cccc(c1)C(O)CNCc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C23H25NO3/c25-16-19-9-6-11-20(13-19)22(26)15-24-14-21-10-4-5-12-23(21)27-17-18-7-2-1-3-8-18/h1-13,22,24-26H,14-17H2
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n/an/a 570n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18074
PNG
(2-{[(2-methylphenyl)methyl]amino}-1-[3-(trifluorom...)
Show SMILES Cc1ccccc1CNCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3NO/c1-12-5-2-3-6-14(12)10-21-11-16(22)13-7-4-8-15(9-13)17(18,19)20/h2-9,16,21-22H,10-11H2,1H3
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n/an/a 790n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Haemophilus influenzae)
BDBM18117
PNG
(2-[2-({[(2S)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...)
Show SMILES OCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m0/s1
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n/an/a>1.00E+3n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Streptococcus pneumoniae)
BDBM18117
PNG
(2-[2-({[(2S)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...)
Show SMILES OCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
tRNA synthetase (PheRS)


(Staphylococcus aureus)
BDBM18117
PNG
(2-[2-({[(2S)-2-(4-bromothiophen-2-yl)-2-hydroxyeth...)
Show SMILES OCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1
Show InChI InChI=1S/C15H18BrNO3S/c16-12-7-15(21-10-12)13(19)9-17-8-11-3-1-2-4-14(11)20-6-5-18/h1-4,7,10,13,17-19H,5-6,8-9H2/t13-/m0/s1
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/a7.937



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)

More data for this
Ligand-Target Pair
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