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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50030319   
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


(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 |r|
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 |r|
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 |r|
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)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 560n/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
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 560n/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
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 |r|
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)
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 |r|
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)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 1.30E+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
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 1.44E+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
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 |r|
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)
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 |r|
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)
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


(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)
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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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
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)
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)