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14 molecules are shown

Wt: 799.4
BDBM50294220
Wt: 815.4
BDBM50294221
Wt: 533.1
BDBM50294222
Wt: 537.2
BDBM50316302
Wt: 457.2
BDBM50316303
Wt: 377.2
BDBM50316304
Wt: 453.3
BDBM50316305
Wt: 487.7
BDBM50316307
Wt: 471.3
BDBM50316315
Wt: 503.4
BDBM50316316
Wt: 467.3
BDBM50316318
Wt: 467.3
BDBM50316320
Wt: 501.8
BDBM50386763
Wt: 483.3
BDBM50386765

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50294220,50294221,50294222,50316302,50316303,50316304,50316305,50316307,50316315,50316316,50316318,50316320,50386763,50386765   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50316302
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/t4-,6-,7-,10-/m1/s1
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PubMed
28n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294221
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](CO[P@@]([S-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O17P3S/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(46-19)3-44-51(42,52)48-50(40,41)47-49(38,39)43-2-6-10(32)12(34)18(45-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,52)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-,51+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294221
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](CO[P@@]([S-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O17P3S/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(46-19)3-44-51(42,52)48-50(40,41)47-49(38,39)43-2-6-10(32)12(34)18(45-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,52)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-,51+/m1/s1
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1.21E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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1.71E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294222
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxido-9H-puri...)
Show SMILES C[n+]1cn(C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-4
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294221
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](CO[P@@]([S-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O17P3S/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(46-19)3-44-51(42,52)48-50(40,41)47-49(38,39)43-2-6-10(32)12(34)18(45-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,52)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-,51+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294221
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](CO[P@@]([S-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O17P3S/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(46-19)3-44-51(42,52)48-50(40,41)47-49(38,39)43-2-6-10(32)12(34)18(45-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,52)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-,51+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294222
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxido-9H-puri...)
Show SMILES C[n+]1cn(C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-4
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294222
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxido-9H-puri...)
Show SMILES C[n+]1cn(C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-4
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n/an/a 4.39E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316302
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316303
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 45n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 7.50E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316305
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...)
Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1
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n/an/an/a 1.32E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316307
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1
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n/an/an/a 1.99E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316315
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(4-fluorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccc(F)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19FN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1
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n/an/an/a 8.22E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316316
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(naphthalen-2-ylmethyl...)
Show SMILES Nc1nc2n(c[n+](Cc3ccc4ccccc4c3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H22N5O8P/c22-21-23-18-15(19(29)24-21)25(8-11-5-6-12-3-1-2-4-13(12)7-11)10-26(18)20-17(28)16(27)14(34-20)9-33-35(30,31)32/h1-7,10,14,16-17,20,27-28H,8-9H2,(H4-,22,23,24,29,30,31,32)/t14-,16-,17-,20-/m1/s1
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n/an/an/a 9.05E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316318
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(3-methylbenzyl)-6-oxo...)
Show SMILES Cc1cccc(C[n+]2cn([C@@H]3O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c23)c1
Show InChI InChI=1S/C18H22N5O8P/c1-9-3-2-4-10(5-9)6-22-8-23(15-12(22)16(26)21-18(19)20-15)17-14(25)13(24)11(31-17)7-30-32(27,28)29/h2-5,8,11,13-14,17,24-25H,6-7H2,1H3,(H4-,19,20,21,26,27,28,29)/t11-,13-,14-,17-/m1/s1
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n/an/an/a 1.58E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316320
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(2-methylbenzyl)-6-oxo...)
Show SMILES Cc1ccccc1C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N5O8P/c1-9-4-2-3-5-10(9)6-22-8-23(15-12(22)16(26)21-18(19)20-15)17-14(25)13(24)11(31-17)7-30-32(27,28)29/h2-5,8,11,13-14,17,24-25H,6-7H2,1H3,(H4-,19,20,21,26,27,28,29)/t11-,13-,14-,17-/m1/s1
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n/an/an/a 6.91E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316305
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...)
Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1
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n/an/an/a 790n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in absence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316315
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(4-fluorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccc(F)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19FN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1
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n/an/an/a 7.51E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in absence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...


Bioorg Med Chem 20: 1699-710 (2012)


Article DOI: 10.1016/j.bmc.2012.01.013
BindingDB Entry DOI: 10.7270/Q2ZW1MC1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay


Bioorg Med Chem 20: 1699-710 (2012)


Article DOI: 10.1016/j.bmc.2012.01.013
BindingDB Entry DOI: 10.7270/Q2ZW1MC1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50316305
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...)
Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1
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n/an/a 1.55E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50316307
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50386763
PNG
(CHEMBL2046902)
Show SMILES Nc1nc2n(c[n+](CCc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21ClN5O8P/c19-10-3-1-9(2-4-10)5-6-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(32-17)7-31-33(28,29)30/h1-4,8,11,13-14,17,25-26H,5-7H2,(H4-,20,21,22,27,28,29,30)/t11-,13-,14-,17-/m1/s1
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n/an/a 4.93E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50386765
PNG
(CHEMBL2046904)
Show SMILES Nc1nc2n(c[n+](CCOc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N5O9P/c19-18-20-15-12(16(26)21-18)22(6-7-30-10-4-2-1-3-5-10)9-23(15)17-14(25)13(24)11(32-17)8-31-33(27,28)29/h1-5,9,11,13-14,17,24-25H,6-8H2,(H4-,19,20,21,26,27,28,29)/t11-,13-,14-,17-/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ...


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50316305
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...)
Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ...


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50316307
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1
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n/an/a 4.98E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ...


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50386763
PNG
(CHEMBL2046902)
Show SMILES Nc1nc2n(c[n+](CCc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21ClN5O8P/c19-10-3-1-9(2-4-10)5-6-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(32-17)7-31-33(28,29)30/h1-4,8,11,13-14,17,25-26H,5-7H2,(H4-,20,21,22,27,28,29,30)/t11-,13-,14-,17-/m1/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ...


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50386765
PNG
(CHEMBL2046904)
Show SMILES Nc1nc2n(c[n+](CCOc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N5O9P/c19-18-20-15-12(16(26)21-18)22(6-7-30-10-4-2-1-3-5-10)9-23(15)17-14(25)13(24)11(32-17)8-31-33(27,28)29/h1-5,9,11,13-14,17,24-25H,6-8H2,(H4-,19,20,21,26,27,28,29)/t11-,13-,14-,17-/m1/s1
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n/an/a 4.83E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ...


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294221
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](CO[P@@]([S-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O17P3S/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(46-19)3-44-51(42,52)48-50(40,41)47-49(38,39)43-2-6-10(32)12(34)18(45-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,52)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-,51+/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294221
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](CO[P@@]([S-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O17P3S/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(46-19)3-44-51(42,52)48-50(40,41)47-49(38,39)43-2-6-10(32)12(34)18(45-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,52)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-,51+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50316302
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/t4-,6-,7-,10-/m1/s1
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n/an/a 5.72E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated translation in flexi rabbit reticulocyte lysate using luciferase mRNA preincubated for 60 mins before mRNA addition by l...


Bioorg Med Chem 23: 5369-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.052
BindingDB Entry DOI: 10.7270/Q2DN46V3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50316302
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/t4-,6-,7-,10-/m1/s1
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n/an/a 2.36E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated translation in flexi rabbit reticulocyte lysate using luciferase mRNA treated simultaneously with mRNA by luminescence b...


Bioorg Med Chem 23: 5369-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.052
BindingDB Entry DOI: 10.7270/Q2DN46V3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)