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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50048538   
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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217841
PNG
(REVEROMYCIN A)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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n/an/a 1.97n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217935
PNG
(CHEMBL114859)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
Show InChI InChI=1S/C33H50O8/c1-7-8-18-32(39-6)20-21-33(41-29(32)15-11-24(3)22-31(37)38)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1
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n/an/a 44.4n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217844
PNG
(CHEMBL115953)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@](O)(CCCC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
Show InChI InChI=1S/C32H48O8/c1-6-7-17-31(38)19-20-32(40-28(31)14-10-23(3)21-30(36)37)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(34)35/h8-12,14-15,21,24-28,33,38H,6-7,13,16-20H2,1-5H3,(H,34,35)(H,36,37)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1
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n/an/a 74.4n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217934
PNG
(CHEMBL321686)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(O)=O
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-17-32(40)41)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-18-33(42)44-5/h8-15,18,26-30,37H,6-7,16-17,19-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,18-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217938
PNG
(CHEMBL112182)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(O)=O
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-33(42)44-5)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-32(40)41/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217849
PNG
(CHEMBL115317)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
Show InChI InChI=1S/C37H54O11/c1-7-8-20-36(48-35(44)18-17-33(40)41)22-23-37(47-31(36)15-11-26(3)24-34(42)43)21-19-28(5)30(46-37)14-10-25(2)9-13-29(45-6)27(4)12-16-32(38)39/h9-13,15-16,24,27-31H,7-8,14,17-23H2,1-6H3,(H,38,39)(H,40,41)(H,42,43)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
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n/an/a 244n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217839
PNG
(CHEMBL327131)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
Show InChI InChI=1S/C34H52O8S/c1-7-8-18-33(40-23-43-6)20-21-34(42-30(33)15-11-25(3)22-32(38)39)19-17-27(5)29(41-34)14-10-24(2)9-13-28(35)26(4)12-16-31(36)37/h9-13,15-16,22,26-30,35H,7-8,14,17-21,23H2,1-6H3,(H,36,37)(H,38,39)/b13-9+,15-11+,16-12+,24-10+,25-22+/t26-,27-,28-,29+,30-,33+,34-/m0/s1
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n/an/a 353n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217846
PNG
(CHEMBL332420)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(=O)OC
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-32(40)41)23-24-36(46-30(35)10-8-9-11-33(42)44-5)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-31(38)39/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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n/an/a 742n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217933
PNG
(CHEMBL115057)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O[SiH2]C(C)(C)C)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C40H62O11Si/c1-9-10-22-39(50-37(47)20-19-35(43)44)24-25-40(49-33(39)17-13-28(3)26-36(45)46)23-21-30(5)31(48-40)15-11-27(2)12-16-32(51-52-38(6,7)8)29(4)14-18-34(41)42/h11-14,16-18,26,29-33H,9-10,15,19-25,52H2,1-8H3,(H,41,42)(H,43,44)(H,45,46)/b16-12+,17-13+,18-14+,27-11+,28-26+/t29-,30-,31+,32-,33-,39+,40-/m0/s1
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n/an/a<1.33E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217840
PNG
(CHEMBL324768)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC
Show InChI InChI=1S/C39H58O11/c1-9-10-22-38(50-36(43)20-19-35(42)46-7)24-25-39(49-33(38)17-13-28(3)26-37(44)47-8)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)45-6/h11-15,17-18,26,29-33,40H,9-10,16,19-25H2,1-8H3/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/m0/s1
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n/an/a<1.42E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217937
PNG
(CHEMBL114949)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC(C)=O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
Show InChI InChI=1S/C38H54O12/c1-7-8-20-37(50-36(46)18-17-34(42)43)22-23-38(49-32(37)15-11-26(3)24-35(44)45)21-19-28(5)31(48-38)14-10-25(2)9-13-30(47-29(6)39)27(4)12-16-33(40)41/h9-13,15-16,24,27-28,30-32H,7-8,14,17-23H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,30-,31+,32-,37+,38-/m0/s1
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n/an/a<1.42E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217932
PNG
(CHEMBL115260)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C38H56O11/c1-8-9-21-37(49-36(44)19-18-35(43)46-7)23-24-38(48-32(37)16-12-27(3)25-33(40)41)22-20-29(5)31(47-38)15-11-26(2)10-14-30(39)28(4)13-17-34(42)45-6/h10-14,16-17,25,28-32,39H,8-9,15,18-24H2,1-7H3,(H,40,41)/b14-10+,16-12+,17-13+,26-11+,27-25+/t28-,29-,30-,31+,32-,37+,38-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217845
PNG
(CHEMBL324327)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(=O)OC
Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-19-34(42)45-6)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-18-32(39)40/h9-16,18,27-31,38H,7-8,17,19-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,18-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
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n/an/a<1.48E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217843
PNG
(CHEMBL115081)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(=O)OC
Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-18-32(39)40)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-19-34(42)45-6/h9-16,19,27-31,38H,7-8,17-18,20-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,19-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
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n/an/a<1.48E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217936
PNG
(CHEMBL115949)
Show SMILES [H][C@]1(CCC(C)CC[C@H](O)[C@@H](C)CCC(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@]([H])(CCC(C)CC(O)=O)O2
Show InChI InChI=1S/C36H62O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h24-30,37H,6-23H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/t24?,25?,26-,27-,28-,29+,30-,35+,36-/m0/s1
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n/an/a<1.49E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217842
PNG
(REVEROMYCIN B)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C |r|
Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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n/an/a<1.51E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217848
PNG
(CHEMBL326691)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC
Show InChI InChI=1S/C35H54O8S/c1-8-9-19-34(41-24-44-7)21-22-35(43-31(34)16-12-26(3)23-33(39)40-6)20-18-28(5)30(42-35)15-11-25(2)10-14-29(36)27(4)13-17-32(37)38/h10-14,16-17,23,27-31,36H,8-9,15,18-22,24H2,1-7H3,(H,37,38)/b14-10+,16-12+,17-13+,25-11+,26-23+/t27-,28-,29-,30+,31-,34+,35-/m0/s1
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n/an/a<1.57E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217838
PNG
(CHEMBL115939)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C
Show InChI InChI=1S/C33H50O8/c1-7-8-18-32(29(39-6)15-11-24(3)22-31(37)38)20-21-33(41-32)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1
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n/an/a<1.73E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217847
PNG
(CHEMBL114741)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C
Show InChI InChI=1S/C32H48O8/c1-6-7-17-31(28(34)14-10-23(3)21-30(37)38)19-20-32(40-31)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(35)36/h8-12,14-15,21,24-28,33-34H,6-7,13,16-20H2,1-5H3,(H,35,36)(H,37,38)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1
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n/an/a<1.78E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair