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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Threonyl-tRNA synthetase' AND taxid = 9606   
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
Threonyl-tRNA synthetase


(Homo sapiens)
BDBM50426188
PNG
(CHEMBL2311920)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1
Show InChI InChI=1S/C18H18ClN5O4S/c1-9(25)15(20)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,25H,20H2,1H3,(H,24,26)(H2,21,22,23)/t9-,15+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426182
PNG
(CHEMBL2311926)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H19N5O4S/c1-11(26)17(21)20(27)25-30(28,29)15-5-4-12-2-3-13(8-14(12)9-15)18-16-6-7-22-19(16)24-10-23-18/h2-11,17,26H,21H2,1H3,(H,25,27)(H,22,23,24)/t11-,17+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426184
PNG
(CHEMBL2311924)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)-c1cc(N)ncn1
Show InChI InChI=1S/C18H19N5O4S/c1-10(24)17(20)18(25)23-28(26,27)14-5-4-11-2-3-12(6-13(11)7-14)15-8-16(19)22-9-21-15/h2-10,17,24H,20H2,1H3,(H,23,25)(H2,19,21,22)/t10-,17+/m1/s1
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3n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426190
PNG
(CHEMBL2311918)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)ncnc2c1
Show InChI InChI=1S/C18H19N5O4S/c1-10(24)16(19)18(25)23-28(26,27)13-4-2-3-11(7-13)12-5-6-14-15(8-12)21-9-22-17(14)20/h2-10,16,24H,19H2,1H3,(H,23,25)(H2,20,21,22)/t10-,16+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426183
PNG
(CHEMBL2311925)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1
Show InChI InChI=1S/C16H19N5O4S/c1-10(22)15(18)16(23)21-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(17)20-9-19-13/h2-10,15,22H,18H2,1H3,(H,21,23)(H2,17,19,20)/b6-5+/t10-,15+/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426181
PNG
(CHEMBL2311927)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)N1CCc2ccc(cc2C1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22N6O4S/c1-11(26)16(20)19(27)24-30(28,29)25-7-5-12-2-3-13(8-14(12)9-25)17-15-4-6-21-18(15)23-10-22-17/h2-4,6,8,10-11,16,26H,5,7,9,20H2,1H3,(H,24,27)(H,21,22,23)/t11-,16+/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426189
PNG
(CHEMBL2311919)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C18H20N6O4S/c1-9(25)15(19)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(21)23-16(13)20/h2-9,15,25H,19H2,1H3,(H,24,26)(H4,20,21,22,23)/t9-,15+/m1/s1
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10n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426200
PNG
(CHEMBL2311917)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6+,7+,9+,10+,14+/m1/s1
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13n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426194
PNG
(CHEMBL2316966)
Show SMILES CC[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1
Show InChI InChI=1S/C17H21N5O4S/c1-2-14(23)16(19)17(24)22-27(25,26)7-6-11-4-3-5-12(8-11)13-9-15(18)21-10-20-13/h3-10,14,16,23H,2,19H2,1H3,(H,22,24)(H2,18,20,21)/b7-6+/t14-,16+/m1/s1
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32n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426187
PNG
(CHEMBL2311921)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(C)nc2c1
Show InChI InChI=1S/C19H21N5O4S/c1-10(25)17(20)19(26)24-29(27,28)14-5-3-4-12(8-14)13-6-7-15-16(9-13)22-11(2)23-18(15)21/h3-10,17,25H,20H2,1-2H3,(H,24,26)(H2,21,22,23)/t10-,17+/m1/s1
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72n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426180
PNG
(CHEMBL2311928)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C18H19N3O5S/c1-10(22)16(19)18(24)21-27(25,26)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-20-17(15)23/h2-8,10,16,22H,9,19H2,1H3,(H,20,23)(H,21,24)/t10-,16+/m1/s1
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91n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426197
PNG
(CHEMBL2316963)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NNc1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1
Show InChI InChI=1S/C18H19ClN6O2/c1-9(26)15(20)17(27)25-24-12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,24,26H,20H2,1H3,(H,25,27)(H2,21,22,23)/t9-,15+/m1/s1
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399n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426186
PNG
(CHEMBL2311922)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)cc2c1
Show InChI InChI=1S/C19H19ClN4O4S/c1-10(25)17(21)19(26)24-29(27,28)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-16(20)23-18(15)22/h2-10,17,25H,21H2,1H3,(H2,22,23)(H,24,26)/t10-,17+/m1/s1
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463n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426193
PNG
(CHEMBL2316967)
Show SMILES CC(C)[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1
Show InChI InChI=1S/C18H23N5O4S/c1-11(2)17(24)16(20)18(25)23-28(26,27)7-6-12-4-3-5-13(8-12)14-9-15(19)22-10-21-14/h3-11,16-17,24H,20H2,1-2H3,(H,23,25)(H2,19,21,22)/b7-6+/t16-,17+/m0/s1
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601n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426198
PNG
(CHEMBL2316962)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NCc1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1
Show InChI InChI=1S/C19H20ClN5O2/c1-10(26)16(21)18(27)23-9-11-3-2-4-12(7-11)13-5-6-14-15(8-13)24-19(20)25-17(14)22/h2-8,10,16,26H,9,21H2,1H3,(H,23,27)(H2,22,24,25)/t10-,16+/m1/s1
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935n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426179
PNG
(CHEMBL2311929)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(Cl)c2c1
Show InChI InChI=1S/C17H17ClN4O4S/c1-9(23)15(19)17(24)22-27(25,26)12-4-2-3-10(7-12)11-5-6-14-13(8-11)16(18)21-20-14/h2-9,15,23H,19H2,1H3,(H,20,21)(H,22,24)/t9-,15+/m1/s1
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1.52E+3n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426185
PNG
(CHEMBL2311923)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nccc2c1
Show InChI InChI=1S/C19H20N4O4S/c1-11(24)17(20)19(25)23-28(26,27)15-4-2-3-12(10-15)13-5-6-16-14(9-13)7-8-22-18(16)21/h2-11,17,24H,20H2,1H3,(H2,21,22)(H,23,25)/t11-,17+/m1/s1
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2.24E+3n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426178
PNG
(CHEMBL2316960)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
Show InChI InChI=1S/C18H20N4O4S/c1-10-15-9-13(6-7-16(15)21-20-10)12-4-3-5-14(8-12)27(25,26)22-18(24)17(19)11(2)23/h3-9,11,17,23H,19H2,1-2H3,(H,20,21)(H,22,24)/t11-,17+/m1/s1
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5.82E+3n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426191
PNG
(CHEMBL2311916)
Show SMILES C[C@@H](N)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1
Show InChI InChI=1S/C16H20N6O3S/c1-10(17)15(19)16(23)22-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(18)21-9-20-13/h2-10,15H,17,19H2,1H3,(H,22,23)(H2,18,20,21)/b6-5+/t10-,15+/m1/s1
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1.26E+4n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426199
PNG
(CHEMBL2316959)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O5S/c1-11(19)15(17)16(20)18-24(21,22)14-9-7-13(8-10-14)23-12-5-3-2-4-6-12/h2-11,15,19H,17H2,1H3,(H,18,20)/t11-,15+/m1/s1
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3.68E+4n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426196
PNG
(CHEMBL2316964)
Show SMILES C[C@@H](O)[C@H](N)CNS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1
Show InChI InChI=1S/C18H20ClN5O3S/c1-10(25)15(20)9-22-28(26,27)13-4-2-3-11(7-13)12-5-6-14-16(8-12)23-18(19)24-17(14)21/h2-8,10,15,22,25H,9,20H2,1H3,(H2,21,23,24)/t10-,15-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426192
PNG
(CHEMBL2316968)
Show SMILES C[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1
Show InChI InChI=1S/C16H18N4O5S/c1-10(21)15(22)16(23)20-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(17)19-9-18-13/h2-10,15,21-22H,1H3,(H,20,23)(H2,17,18,19)/b6-5+/t10-,15+/m1/s1
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Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426177
PNG
(CHEMBL2316961)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H18N4O4S/c1-10(22)16(18)17(23)21-26(24,25)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-19-20-15/h2-10,16,22H,18H2,1H3,(H,19,20)(H,21,23)/t10-,16+/m1/s1
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Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50426195
PNG
(CHEMBL2316965)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N(C)S(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H21N3O5S/c1-11(23)17(20)19(25)22(2)28(26,27)15-5-3-4-12(9-15)13-6-7-16-14(8-13)10-21-18(16)24/h3-9,11,17,23H,10,20H2,1-2H3,(H,21,24)/t11-,17+/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry


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


(Homo sapiens)
BDBM50366646
PNG
(CHEMBL1163068)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,9-,10-,14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cognate Staphylococcus aureus threonyl tRNA synthetase


Bioorg Med Chem Lett 10: 1871-4 (2000)

More data for this
Ligand-Target Pair