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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Aminoacyl-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
Aminoacyl-tRNA synthetase


(Homo sapiens)
BDBM50097106
PNG
(2-(4-Bromo-phenyl)-8-chloro-6-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)c2nc(cc(C(O)=O)c2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12-13(17(21)22)8-15(20-16(12)14(19)7-9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097105
PNG
(6-Bromo-2-(4-bromo-phenyl)-quinoline-4-carboxylic ...)
Show SMILES OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H9Br2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097090
PNG
(2-(4-Bromo-phenyl)-6-chloro-quinoline-4-carboxylic...)
Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H9BrClNO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097103
PNG
(2-(4-Bromo-phenyl)-6-(4-hydroxy-phenyl)-quinoline-...)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)-c1ccc(O)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H14BrNO3/c23-16-6-1-14(2-7-16)21-12-19(22(26)27)18-11-15(5-10-20(18)24-21)13-3-8-17(25)9-4-13/h1-12,25H,(H,26,27)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097104
PNG
(6-Bromo-2-(4-bromo-phenyl)-8-trifluoromethyl-quino...)
Show SMILES OC(=O)c1cc(nc2c(cc(Br)cc12)C(F)(F)F)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H8Br2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097107
PNG
(2-(4-Bromo-phenyl)-7-fluoro-8-methyl-quinoline-4-c...)
Show SMILES Cc1c(F)ccc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrFNO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097093
PNG
(7-Bromo-2-(4-bromo-phenyl)-8-methyl-quinoline-4-ca...)
Show SMILES Cc1c(Br)ccc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11Br2NO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097087
PNG
(2-(4-Bromo-phenyl)-6-((E)-2-carboxy-vinyl)-quinoli...)
Show SMILES OC(=O)\C=C\c1ccc2nc(cc(C(O)=O)c2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H12BrNO4/c20-13-5-3-12(4-6-13)17-10-15(19(24)25)14-9-11(2-8-18(22)23)1-7-16(14)21-17/h1-10H,(H,22,23)(H,24,25)/b8-2+
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n/an/a 8.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097099
PNG
(6-Amino-2-(4-bromo-phenyl)-quinoline-4-carboxylic ...)
Show SMILES Nc1ccc2nc(cc(C(O)=O)c2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrN2O2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,18H2,(H,20,21)
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n/an/a 9.50E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097097
PNG
(2-Pyridin-4-yl-quinoline-4-carboxylic acid | CHEMB...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C15H10N2O2/c18-15(19)12-9-14(10-5-7-16-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097102
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)OCc1ccco1
Show InChI InChI=1S/C22H15BrClNO3/c1-13-9-16(24)10-18-19(22(26)28-12-17-3-2-8-27-17)11-20(25-21(13)18)14-4-6-15(23)7-5-14/h2-11H,12H2,1H3
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097091
PNG
(2-(4-Bromo-phenyl)-5,7-dichloro-quinoline-4-carbox...)
Show SMILES OC(=O)c1cc(nc2cc(Cl)cc(Cl)c12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H8BrCl2NO2/c17-9-3-1-8(2-4-9)13-7-11(16(21)22)15-12(19)5-10(18)6-14(15)20-13/h1-7H,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097082
PNG
(2-(4-Bromo-phenyl)-6-iodo-quinoline-4-carboxylic a...)
Show SMILES OC(=O)c1cc(nc2ccc(I)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H9BrINO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097092
PNG
(2-{[2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline...)
Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)c1cc(nc2c(C)cc(Cl)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H22BrClN2O3/c1-16-12-20(29)14-21-22(15-23(30-25(16)21)18-8-10-19(28)11-9-18)26(32)31-24(27(33)34-2)13-17-6-4-3-5-7-17/h3-12,14-15,24H,13H2,1-2H3,(H,31,32)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097084
PNG
(2-(4-Bromo-phenyl)-7-chloro-5-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2nc(cc(C(O)=O)c12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-15-16(9)13(17(21)22)8-14(20-15)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097088
PNG
(2-(4-Bromo-phenyl)-6,8-dimethyl-quinoline-4-carbox...)
Show SMILES Cc1cc(C)c2nc(cc(C(O)=O)c2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H14BrNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097086
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)Oc1nnn[nH]1
Show InChI InChI=1S/C18H11BrClN5O2/c1-9-6-12(20)7-13-14(17(26)27-18-22-24-25-23-18)8-15(21-16(9)13)10-2-4-11(19)5-3-10/h2-8H,1H3,(H,22,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097085
PNG
(2-(4-Bromo-phenyl)-6-sulfo-quinoline-4-carboxylic ...)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)S(O)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H10BrNO5S/c17-10-3-1-9(2-4-10)15-8-13(16(19)20)12-7-11(24(21,22)23)5-6-14(12)18-15/h1-8H,(H,19,20)(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097083
PNG
(2-(3,4-Dichloro-phenyl)-quinoline-4-carboxylic aci...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H9Cl2NO2/c17-12-6-5-9(7-13(12)18)15-8-11(16(20)21)10-3-1-2-4-14(10)19-15/h1-8H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM35453
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid | 2-(2-fu...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C14H9NO3/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11/h1-8H,(H,16,17)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097101
PNG
(2-Naphthalen-2-yl-quinoline-4-carboxylic acid | CH...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H13NO2/c22-20(23)17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097094
PNG
(2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid | C...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H10BrNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097098
PNG
(2-(5-Chloro-thiophen-2-yl)-quinoline-4-carboxylic ...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1
Show InChI InChI=1S/C14H8ClNO2S/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11/h1-7H,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097113
PNG
(2-(4-Bromo-phenyl)-6-trifluoromethoxy-quinoline-4-...)
Show SMILES OC(=O)c1cc(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H9BrF3NO3/c18-10-3-1-9(2-4-10)15-8-13(16(23)24)12-7-11(25-17(19,20)21)5-6-14(12)22-15/h1-8H,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097100
PNG
(2-Phenyl-quinoline-4-carboxylic acid | 2-phenylqui...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097095
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)OCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H15BrCl3NO2/c1-13-8-17(26)10-18-19(24(30)31-12-14-2-7-20(27)21(28)9-14)11-22(29-23(13)18)15-3-5-16(25)6-4-15/h2-11H,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097109
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-hydroxymethyl-quinol...)
Show SMILES OCc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO3/c18-11-3-1-9(2-4-11)15-7-14(17(22)23)13-6-12(19)5-10(8-21)16(13)20-15/h1-7,21H,8H2,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097112
PNG
(2-(4-Methoxy-phenyl)-quinoline-4-carboxylic acid |...)
Show SMILES COc1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097108
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H21BrClNO2/c1-19-15-25(32)16-26-27(17-28(33-29(19)26)23-11-13-24(31)14-12-23)30(34)35-18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-17H,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097110
PNG
(2-(4-Trifluoromethyl-phenyl)-quinoline-4-carboxyli...)
Show SMILES OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO2/c18-17(19,20)11-7-5-10(6-8-11)15-9-13(16(22)23)12-3-1-2-4-14(12)21-15/h1-9H,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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5.10n/an/an/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to ATP


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Homo sapiens)
BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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15n/an/an/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Non-competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to proline


Bioorg Med Chem Lett 11: 541-4 (2001)

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


(Thermus thermophilus)
BDBM43826
PNG
(2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimi...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc2n(c(SC(C)C(N)=O)nc2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O4S2/c1-5-24(6-2)31(27,28)17-11-12-19-18(13-17)23-21(30-14(3)20(22)26)25(19)15-7-9-16(29-4)10-8-15/h7-14H,5-6H2,1-4H3,(H2,22,26)
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n/an/an/a 6.00E+5n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

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


(Thermus thermophilus)
BDBM43827
PNG
((E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-18(23)12-11-17-14-21(13-15-7-3-1-4-8-15)20-19(17)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,23)/b12-11+
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n/an/an/a 1.70E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

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


(Thermus thermophilus)
BDBM43825
PNG
((Z)-3-(3-chloro-2-methyl-anilino)-2-[3-chloro-5-(t...)
Show SMILES COC(=O)C(C=Nc1cccc(Cl)c1C)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F3N2O2/c1-9-12(18)4-3-5-14(9)23-8-11(16(25)26-2)15-13(19)6-10(7-24-15)17(20,21)22/h3-8,11H,1-2H3
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n/an/an/a 2.00E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

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


(Thermus thermophilus)
BDBM43824
PNG
(Aminoglycosides, 2 | MLS000533892 | N-[(E)-N''''-(...)
Show SMILES CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1
Show InChI InChI=1S/C13H16N4OS/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)
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n/an/an/a 1.30E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

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


(Thermus thermophilus)
BDBM43823
PNG
(Kanamycin A, 1 | MLS000531200 | N-(2,3-dihydro-1,4...)
Show SMILES O=C(Nc1ccc2OCCOc2c1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22N2O5S/c23-20(21-16-7-8-18-19(14-16)27-12-11-26-18)15-5-4-6-17(13-15)28(24,25)22-9-2-1-3-10-22/h4-8,13-14H,1-3,9-12H2,(H,21,23)
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n/an/an/a 1.10E+3n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

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


(Thermus thermophilus)
BDBM19
PNG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Show SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
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n/an/an/a 5n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair