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PubMed code 22458568

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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
Eukaryotic translation initiation factor 4E


(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 |r|
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


(Homo sapiens (Human))		BDBM50386777
PNG
(CHEMBL2046918)
Show SMILES CNc1nc2nc(-c3ccc(cc3)C(F)(F)P(O)(O)=O)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1
Show InChI InChI=1S/C21H19ClF2N5O5P/c1-25-20-27-17-16(19(30)28-20)29(10-11-34-15-8-6-14(22)7-9-15)18(26-17)12-2-4-13(5-3-12)21(23,24)35(31,32)33/h2-9H,10-11H2,1H3,(H2,31,32,33)(H2,25,27,28,30)
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n/an/a 16n/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


(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 |r|
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


(Homo sapiens (Human))		BDBM50386774
PNG
(CHEMBL2046915)
Show SMILES CC1(C)O[C@@H]2[C@@H](COP(O)([O-])=O)O[C@H]([C@@H]2O1)n1c[n+](CCOc2ccc(Cl)cc2)c2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C21H25ClN5O9P/c1-21(2)35-15-13(9-33-37(29,30)31)34-19(16(15)36-21)27-10-26(14-17(27)24-20(23)25-18(14)28)7-8-32-12-5-3-11(22)4-6-12/h3-6,10,13,15-16,19H,7-9H2,1-2H3,(H4-,23,24,25,28,29,30,31)/t13-,15-,16-,19-/m1/s1
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n/an/a 51n/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


(Homo sapiens (Human))		BDBM50386769
PNG
(CHEMBL2046910)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(Cl)c(F)c3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H20ClFN5O9P/c19-9-2-1-8(5-10(9)20)32-4-3-24-7-25(15-12(24)16(28)23-18(21)22-15)17-14(27)13(26)11(34-17)6-33-35(29,30)31/h1-2,5,7,11,13-14,17,26-27H,3-4,6H2,(H4-,21,22,23,28,29,30,31)/t11-,13-,14-,17-/m1/s1
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n/an/a 56n/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


(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 |r|
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


(Homo sapiens (Human))		BDBM50386775
PNG
(CHEMBL2046916)
Show SMILES CNc1nc2nc(-c3ccc(cc3)P(O)(O)=O)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1
Show InChI InChI=1S/C20H19ClN5O5P/c1-22-20-24-17-16(19(27)25-20)26(10-11-31-14-6-4-13(21)5-7-14)18(23-17)12-2-8-15(9-3-12)32(28,29)30/h2-9H,10-11H2,1H3,(H2,28,29,30)(H2,22,24,25,27)
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n/an/a 95n/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


(Homo sapiens (Human))		BDBM50386771
PNG
(CHEMBL2046912)
Show SMILES Nc1nc2n(c[n+](Cc3cc4cc(Cl)ccc4o3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H19ClN5O9P/c20-9-1-2-11-8(3-9)4-10(33-11)5-24-7-25(16-13(24)17(28)23-19(21)22-16)18-15(27)14(26)12(34-18)6-32-35(29,30)31/h1-4,7,12,14-15,18,26-27H,5-6H2,(H4-,21,22,23,28,29,30,31)/t12-,14-,15-,18-/m1/s1
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n/an/a 117n/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


(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 |r|
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


(Homo sapiens (Human))		BDBM50386776
PNG
(CHEMBL2046917)
Show SMILES CNc1nc2nc(-c3ccc(CP(O)(O)=O)cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1
Show InChI InChI=1S/C21H21ClN5O5P/c1-23-21-25-18-17(20(28)26-21)27(10-11-32-16-8-6-15(22)7-9-16)19(24-18)14-4-2-13(3-5-14)12-33(29,30)31/h2-9H,10-12H2,1H3,(H2,29,30,31)(H2,23,25,26,28)
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n/an/a 160n/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 |r|
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


(Homo sapiens (Human))		BDBM50386779
PNG
(CHEMBL2046920)
Show SMILES CCOP(O)(=O)c1ccc(cc1)-c1nc2nc(NC)[nH]c(=O)c2n1CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN5O5P/c1-3-33-34(30,31)17-10-4-14(5-11-17)20-25-19-18(21(29)27-22(24-2)26-19)28(20)12-13-32-16-8-6-15(23)7-9-16/h4-11H,3,12-13H2,1-2H3,(H,30,31)(H2,24,26,27,29)
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n/an/a 1.35E+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


(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 |r|
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


(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 |r|
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


(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 |r|
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


(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 |r|
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)		BDBM50386769
PNG
(CHEMBL2046910)
Show SMILES Nc1nc2n(c[n+](CCOc3ccc(Cl)c(F)c3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H20ClFN5O9P/c19-9-2-1-8(5-10(9)20)32-4-3-24-7-25(15-12(24)16(28)23-18(21)22-15)17-14(27)13(26)11(34-17)6-33-35(29,30)31/h1-2,5,7,11,13-14,17,26-27H,3-4,6H2,(H4-,21,22,23,28,29,30,31)/t11-,13-,14-,17-/m1/s1
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n/an/a 2.65E+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


(Homo sapiens (Human))		BDBM50386780
PNG
(CHEMBL2046921)
Show SMILES CNc1nc2nc(-c3ccc(cc3)C(O)=O)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1
Show InChI InChI=1S/C21H18ClN5O4/c1-23-21-25-17-16(19(28)26-21)27(10-11-31-15-8-6-14(22)7-9-15)18(24-17)12-2-4-13(5-3-12)20(29)30/h2-9H,10-11H2,1H3,(H,29,30)(H2,23,25,26,28)
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n/an/a 3.14E+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


(Homo sapiens (Human))		BDBM50386773
PNG
(CHEMBL2046914)
Show SMILES Nc1nc2c(cn(CCOc3ccc(Br)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H22BrN4O9P/c20-9-1-3-10(4-2-9)31-6-5-24-7-11(13-14(24)18(27)23-19(21)22-13)17-16(26)15(25)12(33-17)8-32-34(28,29)30/h1-4,7,12,15-17,25-26H,5-6,8H2,(H2,28,29,30)(H3,21,22,23,27)/t12-,15-,16-,17+/m1/s1
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n/an/a 3.60E+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)		BDBM50386771
PNG
(CHEMBL2046912)
Show SMILES Nc1nc2n(c[n+](Cc3cc4cc(Cl)ccc4o3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H19ClN5O9P/c20-9-1-2-11-8(3-9)4-10(33-11)5-24-7-25(16-13(24)17(28)23-19(21)22-16)18-15(27)14(26)12(34-18)6-32-35(29,30)31/h1-4,7,12,14-15,18,26-27H,5-6H2,(H4-,21,22,23,28,29,30,31)/t12-,14-,15-,18-/m1/s1
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n/an/a 4.30E+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


(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 |r|
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


(Homo sapiens (Human))		BDBM50386772
PNG
(CHEMBL2046913)
Show SMILES Nc1nc2c(cn(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H22ClN4O9P/c20-9-1-3-10(4-2-9)31-6-5-24-7-11(13-14(24)18(27)23-19(21)22-13)17-16(26)15(25)12(33-17)8-32-34(28,29)30/h1-4,7,12,15-17,25-26H,5-6,8H2,(H2,28,29,30)(H3,21,22,23,27)/t12-,15-,16-,17+/m1/s1
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n/an/a 6.58E+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


(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 |r|
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


(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 |r|
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


(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 |r|
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


(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 |r|
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)		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 |r|
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)		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 |r|
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)		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 |r|
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


(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 |r|
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)		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 |r|
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


(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 |r|
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


(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 |r|
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


(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 |r|
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


(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 |r|
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


(Homo sapiens (Human))		BDBM50386770
PNG
(CHEMBL2046911)
Show SMILES Nc1nc2n(c[n+](CC(=O)Nc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H20ClN6O9P/c19-8-1-3-9(4-2-8)21-11(26)5-24-7-25(15-12(24)16(29)23-18(20)22-15)17-14(28)13(27)10(34-17)6-33-35(30,31)32/h1-4,7,10,13-14,17,27-28H,5-6H2,(H5-,20,21,22,23,26,29,30,31,32)/t10-,13-,14-,17-/m1/s1
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n/an/a 8.54E+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


(Homo sapiens (Human))		BDBM50386778
PNG
(CHEMBL2046919)
Show SMILES CCOP(=O)(OCC)c1ccc(cc1)-c1nc2nc(NC)[nH]c(=O)c2n1CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN5O5P/c1-4-34-36(32,35-5-2)19-12-6-16(7-13-19)22-27-21-20(23(31)29-24(26-3)28-21)30(22)14-15-33-18-10-8-17(25)9-11-18/h6-13H,4-5,14-15H2,1-3H3,(H2,26,28,29,31)
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n/an/a 3.00E+5n/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
* indicates data uncertainty>20%