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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with Target = 'Isoleucyl-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
Isoleucyl-tRNA synthetase


(Homo sapiens)
BDBM50290686
PNG
(9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 7: 2805-2808 (1997)

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


(Homo sapiens)
BDBM50366870
PNG
(CHEMBL605376)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12
Show InChI InChI=1S/C16H24IN7O7S/c1-3-6(2)8(18)14(27)23-32(28,29)30-4-7-10(25)11(26)15(31-7)24-5-20-9-12(19)21-16(17)22-13(9)24/h5-8,10-11,15,25-26H,3-4,18H2,1-2H3,(H,23,27)(H2,19,21,22)/t6-,7+,8-,10+,11+,15?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50366862
PNG
(CHEMBL605592)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C
Show InChI InChI=1S/C18H25N7O7S/c1-4-8(3)11(19)17(28)24-33(29,30)31-6-9-13(26)14(27)18(32-9)25-7-21-12-15(20)22-10(5-2)23-16(12)25/h2,7-9,11,13-14,18,26-27H,4,6,19H2,1,3H3,(H,24,28)(H2,20,22,23)/t8-,9+,11-,13+,14+,18?/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccccc2)cs1
Show InChI InChI=1S/C22H31N3O7S2/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of S. aureus isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075070
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31N3O8S2/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50366869
PNG
(CHEMBL603510)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H25N7O7S/c1-3-7(2)9(17)15(26)22-31(27,28)29-4-8-11(24)12(25)16(30-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,11+,12+,16?/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50290689
PNG
(9-{(E)-4-[(2S,3R,4R,5S)-5-(3-Chloro-propane-1-sulf...)
Show SMILES COC(=O)CCCCCCCCOC(=O)\C=C\C[C@@H]1OC[C@H](NS(=O)(=O)CCCCl)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H38ClNO9S/c1-31-19(25)11-6-4-2-3-5-7-14-32-20(26)12-8-10-18-22(28)21(27)17(16-33-18)24-34(29,30)15-9-13-23/h8,12,17-18,21-22,24,27-28H,2-7,9-11,13-16H2,1H3/b12-8+/t17-,18-,21+,22-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 7: 2805-2808 (1997)

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


(Homo sapiens)
BDBM50075059
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1OC
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1
Show InChI InChI=1S/C28H35N3O8S2/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075062
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cc(co1)C#N
Show InChI InChI=1S/C19H24N4O8S2/c1-3-9(2)14(21)18(26)23-33(27,28)30-7-13-15(24)16(25)17(31-13)19-22-11(8-32-19)12-4-10(5-20)6-29-12/h4,6,8-9,13-17,24-25H,3,7,21H2,1-2H3,(H,23,26)/t9?,13-,14+,15-,16-,17-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075062
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cc(co1)C#N
Show InChI InChI=1S/C19H24N4O8S2/c1-3-9(2)14(21)18(26)23-33(27,28)30-7-13-15(24)16(25)17(31-13)19-22-11(8-32-19)12-4-10(5-20)6-29-12/h4,6,8-9,13-17,24-25H,3,7,21H2,1-2H3,(H,23,26)/t9?,13-,14+,15-,16-,17-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of S. aureus isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075059
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1OC
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of S. aureus isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccccc2)cs1
Show InChI InChI=1S/C22H31N3O7S2/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50290687
PNG
(9-{(E)-4-[(2S,3R,4R,5S)-5-(Butane-1-sulfonylamino)...)
Show SMILES CCCCS(=O)(=O)N[C@H]1CO[C@@H](C\C=C\C(=O)OCCCCCCCCC(=O)OC)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C23H41NO9S/c1-3-4-16-34(29,30)24-18-17-33-19(23(28)22(18)27)12-11-14-21(26)32-15-10-8-6-5-7-9-13-20(25)31-2/h11,14,18-19,22-24,27-28H,3-10,12-13,15-17H2,1-2H3/b14-11+/t18-,19-,22+,23-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 7: 2805-2808 (1997)

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


(Homo sapiens)
BDBM50290688
PNG
(9-{(E)-4-[(2S,3R,4R,5S)-5-(3-Chloro-benzenesulfony...)
Show SMILES COC(=O)CCCCCCCCOC(=O)\C=C\C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C25H36ClNO9S/c1-34-22(28)13-6-4-2-3-5-7-15-35-23(29)14-9-12-21-25(31)24(30)20(17-36-21)27-37(32,33)19-11-8-10-18(26)16-19/h8-11,14,16,20-21,24-25,27,30-31H,2-7,12-13,15,17H2,1H3/b14-9+/t20-,21-,24+,25-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 7: 2805-2808 (1997)

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


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075070
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31N3O8S2/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1
Show InChI InChI=1S/C28H35N3O8S2/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50366874
PNG
(CHEMBL605809)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)[C@@H](C)CC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H33N7O7S/c1-4-6-7-8-9-14-26-19(24)16-20(27-14)29(11-25-16)22-18(31)17(30)13(36-22)10-35-37(33,34)28-21(32)15(23)12(3)5-2/h11-13,15,17-18,22,30-31H,4-7,10,23H2,1-3H3,(H,28,32)(H2,24,26,27)/t12-,13+,15-,17+,18+,22?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50290685
PNG
(9-{(E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(propane-1...)
Show SMILES CCCS(=O)(=O)N[C@H]1CO[C@@H](C\C=C\C(=O)OCCCCCCCCC(=O)OC)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H39NO9S/c1-3-15-33(28,29)23-17-16-32-18(22(27)21(17)26)11-10-13-20(25)31-14-9-7-5-4-6-8-12-19(24)30-2/h10,13,17-18,21-23,26-27H,3-9,11-12,14-16H2,1-2H3/b13-10+/t17-,18-,21+,22-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 7: 2805-2808 (1997)

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


(Homo sapiens)
BDBM50099101
PNG
((S)-1-{2-[Hydroxy-(3-hydroxy-4-methoxy-benzoyl)-am...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCN(O)C(=O)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C16H24N2O6/c1-4-10(2)14(17)16(21)24-8-7-18(22)15(20)11-5-6-13(23-3)12(19)9-11/h5-6,9-10,14,19,22H,4,7-8,17H2,1-3H3/p+1/t10?,14-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50366871
PNG
(CHEMBL605380)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C16H24ClN7O7S/c1-3-6(2)8(18)14(27)23-32(28,29)30-4-7-10(25)11(26)15(31-7)24-5-20-9-12(19)21-16(17)22-13(9)24/h5-8,10-11,15,25-26H,3-4,18H2,1-2H3,(H,23,27)(H2,19,21,22)/t6-,7+,8-,10+,11+,15?/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50366865
PNG
(CHEMBL605388)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)NOC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H26N8O7S/c1-3-7(2)9(17)15(27)22-32(28,29)23-30-4-8-11(25)12(26)16(31-8)24-6-21-10-13(18)19-5-20-14(10)24/h5-9,11-12,16,23,25-26H,3-4,17H2,1-2H3,(H,22,27)(H2,18,19,20)/t7-,8+,9-,11+,12+,16?/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50099094
PNG
((S)-1-{2-[Hydroxy-(4-hydroxy-3-methoxy-benzoyl)-am...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCN(O)C(=O)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C16H24N2O6/c1-4-10(2)14(17)16(21)24-8-7-18(22)15(20)11-5-6-12(19)13(9-11)23-3/h5-6,9-10,14,19,22H,4,7-8,17H2,1-3H3/p+1/t10?,14-/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50075064
PNG
(((S)-2-Amino-3-methyl-butyryl)-sulfamic acid (2R,3...)
Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O7S2/c1-10(2)14(20)18(25)22-31(26,27)28-8-13-15(23)16(24)17(29-13)19-21-12(9-30-19)11-6-4-3-5-7-11/h3-7,9-10,13-17,23-24H,8,20H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50290684
PNG
(9-[(E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-methanesul...)
Show SMILES COC(=O)CCCCCCCCOC(=O)\C=C\C[C@@H]1OC[C@H](NS(C)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H35NO9S/c1-28-17(22)11-7-5-3-4-6-8-13-29-18(23)12-9-10-16-20(25)19(24)15(14-30-16)21-31(2,26)27/h9,12,15-16,19-21,24-25H,3-8,10-11,13-14H2,1-2H3/b12-9+/t15-,16-,19+,20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 7: 2805-2808 (1997)

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


(Homo sapiens)
BDBM50099100
PNG
((S)-1-(2-{Hydroxy-[2-(3-hydroxy-4-methoxy-phenyl)-...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCN(O)C(=O)Cc1ccc(OC)c(O)c1
Show InChI InChI=1S/C17H26N2O6/c1-4-11(2)16(18)17(22)25-8-7-19(23)15(21)10-12-5-6-14(24-3)13(20)9-12/h5-6,9,11,16,20,23H,4,7-8,10,18H2,1-3H3/p+1/t11?,16-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50366859
PNG
(CHEMBL605389)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(I)nc12
Show InChI InChI=1S/C17H26IN7O7S/c1-4-7(2)9(19)15(28)24-33(29,30)31-5-8-11(26)12(27)16(32-8)25-6-21-10-13(20-3)22-17(18)23-14(10)25/h6-9,11-12,16,26-27H,4-5,19H2,1-3H3,(H,24,28)(H,20,22,23)/t7-,8+,9-,11+,12+,16?/m0/s1
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n/an/a 2.22E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)

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


(Homo sapiens)
BDBM50099099
PNG
((S)-1-[(S)-2-(4-Hydroxy-3-methoxy-phenyl)-4,5-dihy...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OC[C@@H]1COC(=N1)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H24N2O5/c1-4-10(2)15(18)17(21)24-9-12-8-23-16(19-12)11-5-6-13(20)14(7-11)22-3/h5-7,10,12,15,20H,4,8-9,18H2,1-3H3/p+1/t10?,12-,15-/m0/s1
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n/an/a 3.86E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099095
PNG
((S)-1-{2-[2-(4-Hydroxy-3-methoxy-phenyl)-acetylami...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCNC(=O)Cc1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H26N2O5/c1-4-11(2)16(18)17(22)24-8-7-19-15(21)10-12-5-6-13(20)14(9-12)23-3/h5-6,9,11,16,20H,4,7-8,10,18H2,1-3H3,(H,19,21)/p+1/t11?,16-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099092
PNG
((S)-1-[(R)-2-(4-Hydroxy-3-methoxy-phenyl)-4,5-dihy...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OC[C@H]1COC(=N1)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H24N2O5/c1-4-10(2)15(18)17(21)24-9-12-8-23-16(19-12)11-5-6-13(20)14(7-11)22-3/h5-7,10,12,15,20H,4,8-9,18H2,1-3H3/p+1/t10?,12-,15+/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099109
PNG
((S)-1-{2-[2-(3-Hydroxy-4-methoxy-phenyl)-acetylami...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCNC(=O)Cc1ccc(OC)c(O)c1
Show InChI InChI=1S/C17H26N2O5/c1-4-11(2)16(18)17(22)24-8-7-19-15(21)10-12-5-6-14(23-3)13(20)9-12/h5-6,9,11,16,20H,4,7-8,10,18H2,1-3H3,(H,19,21)/p+1/t11?,16-/m0/s1
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n/an/a 5.65E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099105
PNG
((S)-1-[3-(3-Hydroxy-4-methoxy-phenyl)-4,5-dihydro-...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCC1CC(=NO1)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C17H24N2O5/c1-4-10(2)16(18)17(21)23-9-12-8-13(19-24-12)11-5-6-15(22-3)14(20)7-11/h5-7,10,12,16,20H,4,8-9,18H2,1-3H3/p+1/t10?,12?,16-/m0/s1
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n/an/a 5.76E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099077
PNG
((1S,2S)-1-{(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(5-phe...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](CCn2nnc(n2)-c2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H29N5O5/c1-3-12(2)16(21)20(28)29-11-15-18(27)17(26)14(30-15)9-10-25-23-19(22-24-25)13-7-5-4-6-8-13/h4-8,12,14-18,26-27H,3,9-11,21H2,1-2H3/p+1/t12-,14-,15+,16-,17-,18+/m0/s1
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n/an/a 6.36E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]isoleucyl incorporation by Escherichia coli isoleucyl-tRNA synthetase (IleRS)


Bioorg Med Chem Lett 11: 961-4 (2001)

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


(Homo sapiens)
BDBM50099114
PNG
((S)-1-[2-(4-Hydroxy-3-methoxy-benzoylamino)-ethoxy...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCNC(=O)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-12(19)13(9-11)22-3/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/p+1/t10?,14-/m0/s1
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n/an/a 6.44E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099097
PNG
((S)-1-[3-(4-Hydroxy-3-methoxy-phenyl)-4,5-dihydro-...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCC1CC(=NO1)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H24N2O5/c1-4-10(2)16(18)17(21)23-9-12-8-13(19-24-12)11-5-6-14(20)15(7-11)22-3/h5-7,10,12,16,20H,4,8-9,18H2,1-3H3/p+1/t10?,12?,16-/m0/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099082
PNG
((1S,2S)-1-{(2R,3S,4R,5S)-5-[2-(6-Benzylamino-purin...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](CCn2cnc3c(NCc4ccccc4)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C25H34N6O5/c1-3-15(2)19(26)25(34)35-12-18-22(33)21(32)17(36-18)9-10-31-14-30-20-23(28-13-29-24(20)31)27-11-16-7-5-4-6-8-16/h4-8,13-15,17-19,21-22,32-33H,3,9-12,26H2,1-2H3,(H,27,28,29)/p+1/t15-,17-,18+,19-,21-,22+/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]isoleucyl incorporation by Escherichia coli isoleucyl-tRNA synthetase (IleRS)


Bioorg Med Chem Lett 11: 961-4 (2001)

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


(Homo sapiens)
BDBM50075060
PNG
(((S)-2-Amino-3-phenyl-propionyl)-sulfamic acid (2R...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O7S2/c24-16(11-14-7-3-1-4-8-14)22(29)26-35(30,31)32-12-18-19(27)20(28)21(33-18)23-25-17(13-34-23)15-9-5-2-6-10-15/h1-10,13,16,18-21,27-28H,11-12,24H2,(H,26,29)/t16-,18+,19+,20+,21+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075057
PNG
(CHEMBL126919 | [(S)-2-Amino-3-(3H-imidazol-4-yl)-p...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H23N5O7S2/c21-13(6-12-7-22-10-23-12)19(28)25-34(29,30)31-8-15-16(26)17(27)18(32-15)20-24-14(9-33-20)11-4-2-1-3-5-11/h1-5,7,9-10,13,15-18,26-27H,6,8,21H2,(H,22,23)(H,25,28)/t13-,15+,16+,17+,18+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50075066
PNG
(((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R...)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O7S2/c1-9(18)16(23)20-29(24,25)26-7-12-13(21)14(22)15(27-12)17-19-11(8-28-17)10-5-3-2-4-6-10/h2-6,8-9,12-15,21-22H,7,18H2,1H3,(H,20,23)/t9-,12+,13+,14+,15+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

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


(Homo sapiens)
BDBM50099098
PNG
((S)-1-[2-(3-Hydroxy-4-methoxy-benzoylamino)-ethoxy...)
Show SMILES CCC(C)[C@H]([NH3+])C(=O)OCCNC(=O)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-13(22-3)12(19)9-11/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/p+1/t10?,14-/m0/s1
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n/an/a 1.06E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of...


Bioorg Med Chem Lett 11: 965-8 (2001)

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


(Homo sapiens)
BDBM50099075
PNG
((1S,2S)-1-{[(2R,3S,4R,5S)-5-(6-Amino-purin-9-ylmet...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)N(O)C[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N7O5/c1-3-8(2)11(18)17(27)24(28)5-10-14(26)13(25)9(29-10)4-23-7-22-12-15(19)20-6-21-16(12)23/h6-11,13-14,25-26,28H,3-5,18H2,1-2H3,(H2,19,20,21)/p+1/t8-,9-,10+,11-,13-,14+/m0/s1
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n/an/a>1.28E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]isoleucyl incorporation by Escherichia coli isoleucyl-tRNA synthetase (IleRS)


Bioorg Med Chem Lett 11: 961-4 (2001)

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


(Homo sapiens)
BDBM50099074
PNG
((1S,2S)-1-[(2R,3S,4R,5S)-5-(6-Amino-purin-9-ylmeth...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H26N6O5/c1-3-8(2)11(18)17(26)27-5-10-14(25)13(24)9(28-10)4-23-7-22-12-15(19)20-6-21-16(12)23/h6-11,13-14,24-25H,3-5,18H2,1-2H3,(H2,19,20,21)/p+1/t8-,9-,10+,11-,13-,14+/m0/s1
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n/an/a>1.28E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]isoleucyl incorporation by Escherichia coli isoleucyl-tRNA synthetase (IleRS)


Bioorg Med Chem Lett 11: 961-4 (2001)

More data for this
Ligand-Target Pair
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