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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with Target = 'tRNA synthetase (IleRS)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18152
PNG
((2S,3S)-2-amino-3,4-dimethylpentanoic acid | L-2-A...)
Show SMILES CC(C)[C@H](C)[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
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4.55E+4 -24.4n/an/an/an/an/a7.520



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Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18150
PNG
((2S,3S)-2-amino-3-methylhexanoic acid | L-2-Amino-...)
Show SMILES CCC[C@H](C)[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6-/m0/s1
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5.00E+4 -24.1n/an/an/an/an/a7.520



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Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18149
PNG
((3S)-2-amino-3-methylhexanoic acid | DL-2-Amino-3S...)
Show SMILES CCC[C@H](C)C(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6?/m0/s1
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5.88E+4 -23.7n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18144
PNG
(2-amino-3-ethylpentanoic acid | DL-2-Amino-3-ethyl...)
Show SMILES CCC(CC)C(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-3-5(4-2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
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5.30E+5 -18.4n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18145
PNG
((2S)-2-amino-3-ethylpentanoic acid | L-2-Amino-3-e...)
Show SMILES CCC(CC)[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-3-5(4-2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
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5.60E+5 -18.2n/an/an/an/an/a7.520



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Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18146
PNG
(2-amino-3,3-dimethylpentanoic acid | DL-2-Amino-3,...)
Show SMILES CCC(C)(C)C(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-4-7(2,3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
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1.25E+6 -16.3n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18151
PNG
((3R)-2-amino-3-methylhexanoic acid | DL-2-Amino-3R...)
Show SMILES CCC[C@@H](C)C(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6?/m1/s1
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1.67E+6 -15.6n/an/an/an/an/a7.520



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Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18141
PNG
((2S,4S)-2-amino-4-methylhexanoic acid | L-2-Amino-...)
Show SMILES CC[C@H](C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-3-5(2)4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6-/m0/s1
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2.00E+6 -15.1n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18155
PNG
((3S)-2-amino-3-methylheptanoic acid | DL-2-Amino-3...)
Show SMILES CCCC[C@H](C)C(N)C(O)=O
Show InChI InChI=1S/C8H17NO2/c1-3-4-5-6(2)7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m0/s1
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2.50E+6 -14.6n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18143
PNG
((2S)-2-amino-5-methylhexanoic acid | L-2-Amino-5-m...)
Show SMILES CC(C)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
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2.50E+6 -14.6n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18153
PNG
((3R)-2-amino-3,4-dimethylpentanoic acid | DL-2-Ami...)
Show SMILES CC(C)[C@@H](C)C(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6?/m1/s1
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3.33E+6 -13.9n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18142
PNG
(2-amino-5-methylhexanoic acid | DL-2-Amino-5-methy...)
Show SMILES CC(C)CCC(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
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3.33E+6 -13.9n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18158
PNG
((3R)-2-amino-3-ethylhexanoic acid | DL-2-Amino-3R-...)
Show SMILES CCC[C@@H](CC)C(N)C(O)=O
Show InChI InChI=1S/C8H17NO2/c1-3-5-6(4-2)7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m1/s1
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5.00E+6 -12.9n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18154
PNG
((2S,3R)-2-amino-3,4-dimethylpentanoic acid | L-2-A...)
Show SMILES CC(C)[C@@H](C)[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6+/m1/s1
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5.00E+6 -12.9n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18157
PNG
((3S)-2-amino-3-ethylhexanoic acid | DL-2-Amino-3S-...)
Show SMILES CCC[C@H](CC)C(N)C(O)=O
Show InChI InChI=1S/C8H17NO2/c1-3-5-6(4-2)7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m0/s1
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5.00E+6 -12.9n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18159
PNG
((2S)-2-amino-3-methylpentan-1-ol | L-isoleucinol)
Show SMILES CCC(C)[C@H](N)CO
Show InChI InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5?,6-/m1/s1
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8.33E+6 -11.7n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18147
PNG
(2-amino-4,4-dimethylpentanoic acid | DL-2-Amino-4,...)
Show SMILES CC(C)(C)CC(N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
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1.25E+7 -10.7n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18148
PNG
((2S)-2-amino-4,4-dimethylpentanoic acid | L-2-Amin...)
Show SMILES CC(C)(C)C[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
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1.25E+7 -10.7n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18160
PNG
((2S)-2-amino-3-methylbutan-1-ol | L-Valinol)
Show SMILES CC(C)[C@H](N)CO
Show InChI InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
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1.43E+7 -10.4n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18139
PNG
((2S)-2-aminoheptanoic acid | L-2-Amino-heptanoic a...)
Show SMILES CCCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
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1.67E+7 -9.98n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM18156
PNG
((3R)-2-amino-3-methylheptanoic acid | DL-2-Amino-3...)
Show SMILES CCCC[C@@H](C)C(N)C(O)=O
Show InChI InChI=1S/C8H17NO2/c1-3-4-5-6(2)7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m1/s1
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1.67E+7 -9.98n/an/an/an/an/a7.520



Gesellschaft Fur Molekularbiolische Forschung mbH



Assay Description
Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their com...


Eur J Biochem 66: 147-55 (1976)


BindingDB Entry DOI: 10.7270/Q2CZ35FQ
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50227811
PNG
(CHEMBL287840)
Show SMILES COC(=O)CCCCCCCCCC(=O)\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C28H48O8/c1-18(14-22(30)12-10-8-6-5-7-9-11-13-25(31)34-4)15-23-27(33)26(32)21(17-35-23)16-24-28(36-24)19(2)20(3)29/h14,19-21,23-24,26-29,32-33H,5-13,15-17H2,1-4H3/b18-14+/t19-,20-,21?,23-,24-,26+,27-,28-/m0/s1
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n/an/a 3.31E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227810
PNG
(CHEMBL2115370)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\Sc2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H32O5S/c1-13(12-28-17-7-5-4-6-8-17)9-18-21(25)20(24)16(11-26-18)10-19-22(27-19)14(2)15(3)23/h4-8,12,14-16,18-25H,9-11H2,1-3H3/b13-12+/t14-,15-,16-,18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227809
PNG
(CHEMBL41562)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1CC1CO[C@@H](Cc2ccoc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H26O6/c1-9(10(2)18)17-14(23-17)6-12-8-22-13(16(20)15(12)19)5-11-3-4-21-7-11/h3-4,7,9-10,12-20H,5-6,8H2,1-2H3/t9-,10-,12?,13-,14-,15+,16-,17-/m0/s1
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n/an/a>1.22E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227808
PNG
(CHEMBL41447)
Show SMILES COC(=O)CCCCCCCCSC\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H48O7S/c1-18(12-14-35-13-10-8-6-5-7-9-11-24(29)32-4)15-22-26(31)25(30)21(17-33-22)16-23-27(34-23)19(2)20(3)28/h12,19-23,25-28,30-31H,5-11,13-17H2,1-4H3/b18-12+/t19-,20-,21?,22-,23-,25+,26-,27-/m0/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227807
PNG
(CHEMBL431719)
Show SMILES CCCCOC\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H38O6/c1-5-6-8-25-9-7-13(2)10-17-20(24)19(23)16(12-26-17)11-18-21(27-18)14(3)15(4)22/h7,14-24H,5-6,8-12H2,1-4H3/b13-7+/t14-,15-,16?,17-,18-,19+,20-,21-/m0/s1
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n/an/a 5.17E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227806
PNG
(CHEMBL40737)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1CC1CO[C@@H](CC2=CC(=O)OC2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H26O7/c1-8(9(2)18)17-13(24-17)5-11-7-22-12(16(21)15(11)20)3-10-4-14(19)23-6-10/h4,8-9,11-13,15-18,20-21H,3,5-7H2,1-2H3/t8-,9-,11?,12-,13-,15+,16-,17-/m0/s1
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n/an/a 7.94E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227801
PNG
(CHEMBL290861)
Show SMILES CCCC[S+]([O-])\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H36O6S/c1-5-6-7-27(24)11-12(2)8-16-19(23)18(22)15(10-25-16)9-17-20(26-17)13(3)14(4)21/h11,13-23H,5-10H2,1-4H3/b12-11+/t13-,14-,15?,16-,17-,18+,19-,20-,27?/m0/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227805
PNG
(CHEMBL415885)
Show SMILES COC(=O)CCCCCCCCOC(=O)CC(=O)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H44O10/c1-16(17(2)27)26-21(36-26)12-18-15-35-20(25(32)24(18)31)13-19(28)14-23(30)34-11-9-7-5-4-6-8-10-22(29)33-3/h16-18,20-21,24-27,31-32H,4-15H2,1-3H3/t16-,17-,18?,20-,21-,24+,25-,26-/m0/s1
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n/an/a>7.74E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227804
PNG
(CHEMBL44562)
Show SMILES CCCCS\C=C(\C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H36O5S/c1-5-6-7-26-11-12(2)8-16-19(23)18(22)15(10-24-16)9-17-20(25-17)13(3)14(4)21/h11,13-23H,5-10H2,1-4H3/b12-11-/t13-,14-,15?,16-,17-,18+,19-,20-/m0/s1
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n/an/a 7.43E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227803
PNG
(CHEMBL40920)
Show SMILES CSC(CCCCCCCCCC(=O)\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O)(SC)SC
Show InChI InChI=1S/C30H54O6S3/c1-20(16-24(32)14-12-10-8-7-9-11-13-15-30(37-4,38-5)39-6)17-25-28(34)27(33)23(19-35-25)18-26-29(36-26)21(2)22(3)31/h16,21-23,25-29,31,33-34H,7-15,17-19H2,1-6H3/b20-16+/t21-,22-,23?,25-,26-,27+,28-,29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227802
PNG
(CHEMBL412877)
Show SMILES CCCCS(=O)(=O)\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H36O7S/c1-5-6-7-28(24,25)11-12(2)8-16-19(23)18(22)15(10-26-16)9-17-20(27-17)13(3)14(4)21/h11,13-23H,5-10H2,1-4H3/b12-11+/t13-,14-,15?,16-,17-,18+,19-,20-/m0/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227801
PNG
(CHEMBL290861)
Show SMILES CCCC[S+]([O-])\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H36O6S/c1-5-6-7-27(24)11-12(2)8-16-19(23)18(22)15(10-25-16)9-17-20(26-17)13(3)14(4)21/h11,13-23H,5-10H2,1-4H3/b12-11+/t13-,14-,15?,16-,17-,18+,19-,20-,27?/m0/s1
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n/an/a>400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227800
PNG
(CHEMBL40757)
Show SMILES COC(=O)CCCCCCCCOC\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H48O8/c1-18(12-14-33-13-10-8-6-5-7-9-11-24(29)32-4)15-22-26(31)25(30)21(17-34-22)16-23-27(35-23)19(2)20(3)28/h12,19-23,25-28,30-31H,5-11,13-17H2,1-4H3/b18-12+/t19-,20-,21?,22-,23-,25+,26-,27-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227799
PNG
(CHEMBL41921)
Show SMILES CCCCSC\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H38O5S/c1-5-6-8-27-9-7-13(2)10-17-20(24)19(23)16(12-25-17)11-18-21(26-18)14(3)15(4)22/h7,14-24H,5-6,8-12H2,1-4H3/b13-7+/t14-,15-,16?,17-,18-,19+,20-,21-/m0/s1
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n/an/a 3.89E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227798
PNG
(CHEMBL42269)
Show SMILES [Na+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1CC1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C26H44O9.Na/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);/q;+1/p-1/b16-13+;/t17-,18-,19?,20-,21-,24+,25-,26-;/m0./s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227797
PNG
(CHEMBL42195)
Show SMILES CCCCS\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H36O5S/c1-5-6-7-26-11-12(2)8-16-19(23)18(22)15(10-24-16)9-17-20(25-17)13(3)14(4)21/h11,13-23H,5-10H2,1-4H3/b12-11+/t13-,14-,15?,16-,17-,18+,19-,20-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227796
PNG
(CHEMBL38412)
Show SMILES COC(=O)CCCCCCCCOC(=O)\C=C(/C)C[C@@H]1OCC(C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H46O9/c1-17(14-24(30)34-12-10-8-6-5-7-9-11-23(29)33-4)13-21-26(32)25(31)20(16-35-21)15-22-27(36-22)18(2)19(3)28/h14,18-22,25-28,31-32H,5-13,15-16H2,1-4H3/b17-14+/t18-,19-,20?,21-,22-,25+,26-,27-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50227795
PNG
(CHEMBL2114438)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C/Sc2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H32O5S/c1-13(12-28-17-7-5-4-6-8-17)9-18-21(25)20(24)16(11-26-18)10-19-22(27-19)14(2)15(3)23/h4-8,12,14-16,18-25H,9-11H2,1-3H3/b13-12-/t14-,15-,16-,18-,19-,20+,21-,22-/m0/s1
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n/an/a 4.65E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50370457
PNG
(CHEMBL1789972)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)O[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O6S/c1-3-7(2)10(16)14(24)21-29(25,26)28-15-8(23)4-9(27-15)22-6-20-11-12(17)18-5-19-13(11)22/h5-10,15,23H,3-4,16H2,1-2H3,(H,21,24)(H2,17,18,19)/t7-,8-,9+,10-,15+/m0/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50168733
PNG
((1S,2S)-1-[(2R,5R)-5-(6-Amino-purin-9-yl)-tetrahyd...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)NS(=O)(=O)O[C@@H]1CC[C@@H](O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5S/c1-3-8(2)11(16)15(23)21-28(24,25)27-10-5-4-9(26-10)22-7-20-12-13(17)18-6-19-14(12)22/h6-11H,3-5,16H2,1-2H3,(H,21,23)(H2,17,18,19)/p+1/t8-,9+,10+,11-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
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 265n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50227812
PNG
(CHEMBL288953)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1CC1CO[C@@H](C\C(C)=C\C(=O)c2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C23H32O6/c1-13(9-18(25)16-7-5-4-6-8-16)10-19-22(27)21(26)17(12-28-19)11-20-23(29-20)14(2)15(3)24/h4-9,14-15,17,19-24,26-27H,10-12H2,1-3H3/b13-9+/t14-,15-,17?,19-,20-,21+,22-,23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Isoleucyl-tRNA synthetase


J Med Chem 32: 151-60 (1989)

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


(Escherichia coli)
BDBM50370456
PNG
(CHEMBL1789970)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)O[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O6S/c1-3-7(2)10(16)14(24)21-29(25,26)28-9-4-8(23)15(27-9)22-6-20-11-12(17)18-5-19-13(11)22/h5-10,15,23H,3-4,16H2,1-2H3,(H,21,24)(H2,17,18,19)/t7-,8+,9+,10-,15+/m0/s1
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PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair