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14 molecules are shown

Wt: 537.2
BDBM50316302
Wt: 377.2
BDBM50316304
Wt: 453.3
BDBM50316305
Wt: 487.7
BDBM50316307
Wt: 487.7
BDBM50316308
Wt: 487.7
BDBM50316309
Wt: 551.3
BDBM50386761
Wt: 562.2
BDBM50386762
Wt: 501.8
BDBM50386763
Wt: 515.8
BDBM50386764
Wt: 483.3
BDBM50386765
Wt: 517.8
BDBM50386766
Wt: 501.3
BDBM50386767
Wt: 508.3
BDBM50386768

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50316302,50316304,50316305,50316307,50316308,50316309,50386761,50386762,50386763,50386764,50386765,50386766,50386767,50386768   
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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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


(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)
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)
BDBM50316308
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(3-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3cccc(Cl)c3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-2-8(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 2.20E+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
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316309
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(2-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccccc3Cl)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-4-2-1-3-8(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 2.24E+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
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 (eIF4E)


(Homo sapiens (Human))
BDBM50386761
PNG
(CHEMBL2046909)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(cc3)C(F)(F)F)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21F3N5O9P/c20-19(21,22)9-1-3-10(4-2-9)34-6-5-26-8-27(15-12(26)16(30)25-18(23)24-15)17-14(29)13(28)11(36-17)7-35-37(31,32)33/h1-4,8,11,13-14,17,28-29H,5-7H2,(H4-,23,24,25,30,31,32,33)/t11-,13-,14-,17-/m1/s1
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n/an/a 2.57E+3n/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)
BDBM50386762
PNG
(CHEMBL2046906)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(Br)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21BrN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(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 700n/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
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))
BDBM50316308
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(3-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3cccc(Cl)c3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-2-8(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 5.68E+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))
BDBM50316309
PNG
(((2R,3S,4R,5R)-5-(2-Amino-7-(2-chlorobenzyl)-6-oxo...)
Show SMILES Nc1nc2n(c[n+](Cc3ccccc3Cl)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19ClN5O8P/c18-9-4-2-1-3-8(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 5.45E+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))
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))
BDBM50386764
PNG
(CHEMBL2046903)
Show SMILES Nc1nc2n(c[n+](CCCc3ccc(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/C19H23ClN5O8P/c20-11-5-3-10(4-6-11)2-1-7-24-9-25(16-13(24)17(28)23-19(21)22-16)18-15(27)14(26)12(33-18)8-32-34(29,30)31/h3-6,9,12,14-15,18,26-27H,1-2,7-8H2,(H4-,21,22,23,28,29,30,31)/t12-,14-,15-,18-/m1/s1
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n/an/a 5.35E+3n/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 (eIF4E)


(Homo sapiens (Human))
BDBM50386766
PNG
(CHEMBL2046905)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(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/C18H21ClN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(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 59n/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))
BDBM50386762
PNG
(CHEMBL2046906)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(Br)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21BrN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(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 41n/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))
BDBM50386767
PNG
(CHEMBL2046907)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(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/C18H21FN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(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 1.59E+3n/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))
BDBM50386768
PNG
(CHEMBL2046908)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(cc3)C#N)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N6O9P/c20-7-10-1-3-11(4-2-10)32-6-5-24-9-25(16-13(24)17(28)23-19(21)22-16)18-15(27)14(26)12(34-18)8-33-35(29,30)31/h1-4,9,12,14-15,18,26-27H,5-6,8H2,(H4-,21,22,23,28,29,30,31)/t12-,14-,15-,18-/m1/s1
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n/an/a 125n/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)
BDBM50386766
PNG
(CHEMBL2046905)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(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/C18H21ClN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(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 1.90E+3n/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
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50386767
PNG
(CHEMBL2046907)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(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/C18H21FN5O9P/c19-9-1-3-10(4-2-9)31-6-5-23-8-24(15-12(23)16(27)22-18(20)21-15)17-14(26)13(25)11(33-17)7-32-34(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 2.20E+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
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50386768
PNG
(CHEMBL2046908)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(cc3)C#N)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N6O9P/c20-7-10-1-3-11(4-2-10)32-6-5-24-9-25(16-13(24)17(28)23-19(21)22-16)18-15(27)14(26)12(34-18)8-33-35(29,30)31/h1-4,9,12,14-15,18,26-27H,5-6,8H2,(H4-,21,22,23,28,29,30,31)/t12-,14-,15-,18-/m1/s1
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n/an/a 1.50E+3n/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
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)