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Compile Data Set for Download or QSAR

Found 19 hits of ki for UniProtKB: P06730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451155
PNG
(US10676499, Example 49)
Show SMILES Cc1ccccc1-c1ccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)cc1
Show InChI InChI=1S/C24H26N5O8P/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)10-28-12-29(21-18(28)22(32)27-24(25)26-21)23-20(31)19(30)17(37-23)11-36-38(33,34)35/h2-9,12,17,19-20,23,30-31H,10-11H2,1H3,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1
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20n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
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/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451159
PNG
(US10676499, Example 57)
Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3)-c3cccs3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C21H22N5O8PS/c22-21-23-18-15(19(29)24-21)25(8-11-3-5-12(6-4-11)14-2-1-7-36-14)10-26(18)20-17(28)16(27)13(34-20)9-33-35(30,31)32/h1-7,10,13,16-17,20,27-28H,8-9H2,(H4-,22,23,24,29,30,31,32)/t13-,16-,17-,20-/m0/s1
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30n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451145
PNG
(US10676499, Example 17)
Show SMILES Nc1nc([O-])c2[n+](Cc3cc4ccccc4s3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C19H20N5O8PS/c20-19-21-16-13(17(27)22-19)23(6-10-5-9-3-1-2-4-12(9)34-10)8-24(16)18-15(26)14(25)11(32-18)7-31-33(28,29)30/h1-5,8,11,14-15,18,25-26H,6-7H2,(H4-,20,21,22,27,28,29,30)/t11-,14-,15-,18-/m0/s1
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30n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451148
PNG
(US10676499, Example 29)
Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(OC(F)(F)F)c3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C18H19F3N5O9P/c19-18(20,21)35-9-3-1-2-8(4-9)5-25-7-26(14-11(25)15(29)24-17(22)23-14)16-13(28)12(27)10(34-16)6-33-36(30,31)32/h1-4,7,10,12-13,16,27-28H,5-6H2,(H4-,22,23,24,29,30,31,32)/t10-,12-,13-,16-/m0/s1
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30n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451158
PNG
(US10676499, Example 55)
Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(c(Cl)c3)-c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C23H23ClN5O8P/c24-15-8-12(6-7-14(15)13-4-2-1-3-5-13)9-28-11-29(20-17(28)21(32)27-23(25)26-20)22-19(31)18(30)16(37-22)10-36-38(33,34)35/h1-8,11,16,18-19,22,30-31H,9-10H2,(H4-,25,26,27,32,33,34,35)/t16-,18-,19-,22-/m0/s1
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40n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451147
PNG
(US10676499, Example 26)
Show SMILES COc1cccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)c1
Show InChI InChI=1S/C18H22N5O9P/c1-30-10-4-2-3-9(5-10)6-22-8-23(15-12(22)16(26)21-18(19)20-15)17-14(25)13(24)11(32-17)7-31-33(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-/m0/s1
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50n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451144
PNG
(US10676499, Example 1)
Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3)-c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C23H24N5O8P/c24-23-25-20-17(21(31)26-23)27(10-13-6-8-15(9-7-13)14-4-2-1-3-5-14)12-28(20)22-19(30)18(29)16(36-22)11-35-37(32,33)34/h1-9,12,16,18-19,22,29-30H,10-11H2,(H4-,24,25,26,31,32,33,34)/t16-,18-,19-,22-/m0/s1
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100n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451150
PNG
(US10676499, Example 33)
Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(Oc4ccccc4)c3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C23H24N5O9P/c24-23-25-20-17(21(31)26-23)27(10-13-5-4-8-15(9-13)36-14-6-2-1-3-7-14)12-28(20)22-19(30)18(29)16(37-22)11-35-38(32,33)34/h1-9,12,16,18-19,22,29-30H,10-11H2,(H4-,24,25,26,31,32,33,34)/t16-,18-,19-,22-/m0/s1
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170n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451146
PNG
(US10676499, Example 18)
Show SMILES CO[C@H]1[C@@H](O)[C@H](COP(O)(O)=O)O[C@@H]1n1c[n+](CCOc2ccc(Cl)cc2)c2c([O-])nc(N)nc12
Show InChI InChI=1S/C19H23ClN5O9P/c1-31-15-14(26)12(8-33-35(28,29)30)34-18(15)25-9-24(13-16(25)22-19(21)23-17(13)27)6-7-32-11-4-2-10(20)3-5-11/h2-5,9,12,14-15,18,26H,6-8H2,1H3,(H4-,21,22,23,27,28,29,30)/t12-,14-,15-,18-/m0/s1
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180n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451156
PNG
(US10676499, Example 53)
Show SMILES COc1cc(ccc1C[n+]1cn([C@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]2O)c2nc(N)nc([O-])c12)-c1ccccc1
Show InChI InChI=1S/C24H26N5O9P/c1-36-16-9-14(13-5-3-2-4-6-13)7-8-15(16)10-28-12-29(21-18(28)22(32)27-24(25)26-21)23-20(31)19(30)17(38-23)11-37-39(33,34)35/h2-9,12,17,19-20,23,30-31H,10-11H2,1H3,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1
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190n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451160
PNG
(US10676499, Example 58)
Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3)-c3ccccc3F)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C23H23FN5O8P/c24-15-4-2-1-3-14(15)13-7-5-12(6-8-13)9-28-11-29(20-17(28)21(32)27-23(25)26-20)22-19(31)18(30)16(37-22)10-36-38(33,34)35/h1-8,11,16,18-19,22,30-31H,9-10H2,(H4-,25,26,27,32,33,34,35)/t16-,18-,19-,22-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451151
PNG
(US10676499, Example 40)
Show SMILES COC(=O)c1sccc1NC(=O)c1cccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)c1
Show InChI InChI=1S/C24H25N6O11PS/c1-39-23(35)18-13(5-6-43-18)26-20(33)12-4-2-3-11(7-12)8-29-10-30(19-15(29)21(34)28-24(25)27-19)22-17(32)16(31)14(41-22)9-40-42(36,37)38/h2-7,10,14,16-17,22,31-32H,8-9H2,1H3,(H5-,25,26,27,28,33,34,35,36,37,38)/t14-,16-,17-,22-/m0/s1
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2.36E+3n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451157
PNG
(US10676499, Example 54)
Show SMILES Nc1nc([O-])c2[n+](Cc3ccc(cc3F)-c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C23H23FN5O8P/c24-15-8-13(12-4-2-1-3-5-12)6-7-14(15)9-28-11-29(20-17(28)21(32)27-23(25)26-20)22-19(31)18(30)16(37-22)10-36-38(33,34)35/h1-8,11,16,18-19,22,30-31H,9-10H2,(H4-,25,26,27,32,33,34,35)/t16-,18-,19-,22-/m0/s1
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2.78E+3n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451154
PNG
(US10676499, Example 43)
Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(OCc4ccccc4)c3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C24H26N5O9P/c25-24-26-21-18(22(32)27-24)28(10-15-7-4-8-16(9-15)36-11-14-5-2-1-3-6-14)13-29(21)23-20(31)19(30)17(38-23)12-37-39(33,34)35/h1-9,13,17,19-20,23,30-31H,10-12H2,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1
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3.17E+3n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451153
PNG
(US10676499, Example 42)
Show SMILES COC(=O)c1ccsc1NC(=O)c1cccc(C[n+]2cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3nc(N)nc([O-])c23)c1
Show InChI InChI=1S/C24H25N6O11PS/c1-39-23(35)13-5-6-43-21(13)27-19(33)12-4-2-3-11(7-12)8-29-10-30(18-15(29)20(34)28-24(25)26-18)22-17(32)16(31)14(41-22)9-40-42(36,37)38/h2-7,10,14,16-17,22,31-32H,8-9H2,1H3,(H5-,25,26,27,28,33,34,35,36,37,38)/t14-,16-,17-,22-/m0/s1
PDB

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4.90E+3n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451152
PNG
(US10676499, Example 41)
Show SMILES Nc1nc([O-])c2[n+](Cc3cccc(c3)C(=O)Oc3c(Cl)cccc3Cl)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C24H22Cl2N5O10P/c25-13-5-2-6-14(26)19(13)41-23(35)12-4-1-3-11(7-12)8-30-10-31(20-16(30)21(34)29-24(27)28-20)22-18(33)17(32)15(40-22)9-39-42(36,37)38/h1-7,10,15,17-18,22,32-33H,8-9H2,(H4-,27,28,29,34,36,37,38)/t15-,17-,18-,22-/m0/s1
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US Patent
8.82E+3n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))
BDBM451149
PNG
(US10676499, Example 32)
Show SMILES Nc1nc([O-])c2[n+](Cc3ccccc3CS(=O)(=O)c3ccccc3)cn([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C24H26N5O10PS/c25-24-26-21-18(22(32)27-24)28(13-29(21)23-20(31)19(30)17(39-23)11-38-40(33,34)35)10-14-6-4-5-7-15(14)12-41(36,37)16-8-2-1-3-9-16/h1-9,13,17,19-20,23,30-31H,10-12H2,(H4-,25,26,27,32,33,34,35)/t17-,19-,20-,23-/m0/s1
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9.36E+4n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


US Patent US10676499 (2020)

More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50452630
PNG
(CHEMBL4203412)
Show SMILES C[n+]1cn([C@@H]2O[C@H](Cn3cc(nn3)P(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C13H17N8O7P/c1-19-4-21(10-7(19)11(24)16-13(14)15-10)12-9(23)8(22)5(28-12)2-20-3-6(17-18-20)29(25,26)27/h3-5,8-9,12,22-23H,2H2,1H3,(H4-,14,15,16,24,25,26,27)/t5-,8-,9-,12-/m1/s1
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Article
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3.82E+5n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E (unknown origin)


Bioorg Med Chem 26: 191-199 (2018)


Article DOI: 10.1016/j.bmc.2017.11.032
BindingDB Entry DOI: 10.7270/Q2DZ0BWS
More data for this
Ligand-Target Pair