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Compile Data Set for Download or QSAR

Found 268 hits of ic50 for UniProtKB: P06730   
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


(Homo sapiens (Human))
BDBM50263263
PNG
(CHEMBL4073443)
Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Show InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
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n/an/a 1.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597686
PNG
(CHEMBL5183975)
Show SMILES CC1(C)CN(c2ccccc12)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
PDB

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n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50263263
PNG
(CHEMBL4073443)
Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Show InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50565476
PNG
(CHEMBL4780117)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
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n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells by catalytic enzyme-linked click chemistry assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112655
BindingDB Entry DOI: 10.7270/Q2KS6W8F
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597685
PNG
(CHEMBL5181488)
Show SMILES CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CCc2cc(F)ccc12
PDB

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n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597684
PNG
(CHEMBL5203720)
Show SMILES Fc1ccc2N(CCc2c1)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
PDB

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n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597682
PNG
(CHEMBL5206647)
Show SMILES CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CC(C)(C)c2ccccc12
PDB

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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
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))
BDBM50597673
PNG
(CHEMBL5175341)
Show SMILES Cn1ccc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12
PDB

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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597674
PNG
(CHEMBL5187414)
Show SMILES Cn1ccc2ncnc(Nc3ccc(F)cc3O[C@@H]3CCCOC3)c12 |r|
PDB

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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597675
PNG
(CHEMBL5184155)
Show SMILES Cn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c12
PDB

KEGG

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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50565475
PNG
(CHEMBL4777401)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
PDB

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UniChem
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells by catalytic enzyme-linked click chemistry assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112655
BindingDB Entry DOI: 10.7270/Q2KS6W8F
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597676
PNG
(CHEMBL5196084)
Show SMILES CN(C)CCCNC(=O)c1cc2ncnc(N3CCc4cc(F)ccc34)c2n1C
PDB

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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597679
PNG
(CHEMBL5195407)
Show SMILES CNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1
PDB

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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597683
PNG
(CHEMBL5171562)
Show SMILES CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CCc2ccccc12
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597687
PNG
(CHEMBL5180948)
Show SMILES Clc1ccc2N(CCc2c1)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597672
PNG
(CHEMBL5195560)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncnc2ccn(C)c12)C#N
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597680
PNG
(CHEMBL5205835)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(nc12)C(=O)NCCN1CCNCC1
PDB

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n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597671
PNG
(CHEMBL5186068)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCCCN(C)C)n(C)c12
PDB

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n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
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
PDB

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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))
BDBM50597678
PNG
(CHEMBL5183411)
Show SMILES Fc1ccc2N(CCc2c1)c1ncnc2cc[nH]c12
PDB

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n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
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
PDB

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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
PDB

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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
PDB

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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))
BDBM50525088
PNG
(CHEMBL4461497)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C89H146N28O24S2/c1-10-46(5)69(117-85(140)70(47(6)11-2)116-78(133)56(25-19-36-101-89(97)98)108-86(141)71(48(7)118)115-66(122)43-102-49(8)119)84(139)113-62(40-51-26-28-52(120)29-27-51)81(136)112-63(42-68(125)126)82(137)104-54(23-17-34-99-87(93)94)73(128)103-53(22-15-16-33-90)75(130)111-61(39-50-20-13-12-14-21-50)80(135)110-60(38-45(3)4)79(134)107-58(32-37-143-9)77(132)106-57(30-31-67(123)124)76(131)114-64(44-142)83(138)105-55(24-18-35-100-88(95)96)74(129)109-59(72(92)127)41-65(91)121/h12-14,20-21,26-29,45-48,53-64,69-71,118,120,142H,10-11,15-19,22-25,30-44,90H2,1-9H3,(H2,91,121)(H2,92,127)(H,102,119)(H,103,128)(H,104,137)(H,105,138)(H,106,132)(H,107,134)(H,108,141)(H,109,129)(H,110,135)(H,111,130)(H,112,136)(H,113,139)(H,114,131)(H,115,122)(H,116,133)(H,117,140)(H,123,124)(H,125,126)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells by catalytic enzyme-linked click chemistry assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112655
BindingDB Entry DOI: 10.7270/Q2KS6W8F
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50597681
PNG
(CHEMBL5197975)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(nc12)C(=O)NCC1CCNCC1
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n/an/a 79n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
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


(Homo sapiens (Human))
BDBM50597677
PNG
(CHEMBL5203734)
Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCC3CCNCC3)n(C)c12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM297345
PNG
(N-(6-((1-oxoisoindolin-5-yl)amino)pyrimidin-4-yl)c...)
Show SMILES O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
Show InChI InChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00368
BindingDB Entry DOI: 10.7270/Q20C50T2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167266
PNG
(US9073881, 15 | US9073881, 16)
Show SMILES OC(=O)c1cc(ccc1-c1ccccc1[N+]([O-])=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H12Cl2N2O4S/c23-17-8-6-12(10-18(17)24)19-11-31-21(25-19)13-5-7-14(16(9-13)22(27)28)15-3-1-2-4-20(15)26(29)30/h1-11H,(H,27,28)
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n/an/a 500n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167338
PNG
(US9073881, 88)
Show SMILES OC(=O)c1cc(ccc1-c1cc(OC(F)(F)F)ccc1Cl)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H11Cl3F3NO3S/c24-17-6-3-13(33-23(27,28)29)9-15(17)14-4-1-12(7-16(14)22(31)32)21-30-20(10-34-21)11-2-5-18(25)19(26)8-11/h1-10H,(H,31,32)
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n/an/a 600n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167388
PNG
(US9073881, 140)
Show SMILES Cc1ccc(Cl)c(c1F)-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1 |(-5.19,-9.44,;-5.19,-7.9,;-6.53,-7.13,;-6.53,-5.59,;-5.19,-4.82,;-5.19,-3.28,;-3.86,-5.59,;-3.86,-7.13,;-2.52,-7.9,;-2.52,-4.82,;-1.19,-5.59,;.14,-4.82,;.14,-3.28,;-1.19,-2.51,;-2.53,-3.28,;-3.25,-2.19,;-2.49,-.85,;-4.79,-2.19,;1.48,-2.51,;2.94,-2.98,;3.85,-1.74,;2.94,-.49,;1.48,-.97,;5.39,-1.74,;6.16,-3.07,;7.7,-3.07,;8.47,-1.74,;10.01,-1.74,;7.7,-.4,;8.47,.93,;6.16,-.4,)|
Show InChI InChI=1S/C23H13Cl3FNO2S/c1-11-2-6-17(25)20(21(11)27)14-5-3-13(8-15(14)23(29)30)22-28-19(10-31-22)12-4-7-16(24)18(26)9-12/h2-10H,1H3,(H,29,30)
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n/an/a 700n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50613700
PNG
(CHEBI:50226 | CHEMBL1234303)
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167372
PNG
(US9073881, 124)
Show SMILES OC(=O)c1cc(ccc1-c1ccc(F)cc1C(F)(F)F)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H11Cl2F4NO2S/c24-18-6-2-11(8-19(18)25)20-10-33-21(30-20)12-1-4-14(16(7-12)22(31)32)15-5-3-13(26)9-17(15)23(27,28)29/h1-10H,(H,31,32)
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n/an/a 800n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167330
PNG
(US9073881, 80)
Show SMILES CC(NC(=O)c1ccc(cc1)-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C31H22Cl2N2O3S/c1-18(19-5-3-2-4-6-19)34-29(36)21-9-7-20(8-10-21)24-13-11-23(15-25(24)31(37)38)30-35-28(17-39-30)22-12-14-26(32)27(33)16-22/h2-18H,1H3,(H,34,36)(H,37,38)
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n/an/a 970n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167376
PNG
(US9073881, 128)
Show SMILES OC(=O)c1cc(ccc1-c1cc(ccc1Cl)C(F)(F)F)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H11Cl3F3NO2S/c24-17-6-3-13(23(27,28)29)9-15(17)14-4-1-12(7-16(14)22(31)32)21-30-20(10-33-21)11-2-5-18(25)19(26)8-11/h1-10H,(H,31,32)
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n/an/a 1.10E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167392
PNG
(US9073881, 144)
Show SMILES Cc1ccc(Cl)c(c1)-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H14Cl3NO2S/c1-12-2-6-18(24)16(8-12)15-5-3-14(9-17(15)23(28)29)22-27-21(11-30-22)13-4-7-19(25)20(26)10-13/h2-11H,1H3,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167334
PNG
(US9073881, 84)
Show SMILES OC(=O)c1cc(ccc1-c1cnc(O)nc1)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H11Cl2N3O3S/c21-15-4-2-10(6-16(15)22)17-9-29-18(25-17)11-1-3-13(14(5-11)19(26)27)12-7-23-20(28)24-8-12/h1-9H,(H,26,27)(H,23,24,28)
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n/an/a 1.20E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167355
PNG
(US9073881, 105)
Show SMILES Cc1cc(ccc1-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C24H14Cl2N2O2S/c1-13-8-14(11-27)2-5-17(13)18-6-3-16(9-19(18)24(29)30)23-28-22(12-31-23)15-4-7-20(25)21(26)10-15/h2-10,12H,1H3,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167265
PNG
(US9073881, 14)
Show SMILES OC(=O)c1cc(ccc1-c1cc(Cl)ccc1[N+]([O-])=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H11Cl3N2O4S/c23-13-3-6-20(27(30)31)15(9-13)14-4-1-12(7-16(14)22(28)29)21-26-19(10-32-21)11-2-5-17(24)18(25)8-11/h1-10H,(H,28,29)
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n/an/a 1.30E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167316
PNG
(US9073881, 65)
Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2ccc(cc2C(O)=O)-c2nc(cs2)-c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C31H22Cl2N2O4S/c1-39-23-4-2-3-18(13-23)16-34-29(36)20-7-5-19(6-8-20)24-11-9-22(14-25(24)31(37)38)30-35-28(17-40-30)21-10-12-26(32)27(33)15-21/h2-15,17H,16H2,1H3,(H,34,36)(H,37,38)
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US Patent
n/an/a 1.30E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167328
PNG
(US9073881, 77)
Show SMILES NC(=O)c1ncccc1-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H13Cl2N3O3S/c23-16-6-4-11(9-17(16)24)18-10-31-21(27-18)12-3-5-13(15(8-12)22(29)30)14-2-1-7-26-19(14)20(25)28/h1-10H,(H2,25,28)(H,29,30)
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US Patent
n/an/a 1.30E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167337
PNG
(US9073881, 87)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)-c2nc(cs2)-c2ccc(Cl)c(Cl)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H14Cl2F3NO3S/c1-33-14-4-6-16(18(10-14)24(27,28)29)15-5-2-13(8-17(15)23(31)32)22-30-21(11-34-22)12-3-7-19(25)20(26)9-12/h2-11H,1H3,(H,31,32)
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n/an/a 1.30E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
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


(Homo sapiens (Human))
BDBM167398
PNG
(US9073881, 150)
Show SMILES OC(=O)c1cc(ccc1-c1ccc(Cl)cc1Cl)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H11Cl4NO2S/c23-13-3-5-15(18(25)9-13)14-4-1-12(7-16(14)22(28)29)21-27-20(10-30-21)11-2-6-17(24)19(26)8-11/h1-10H,(H,28,29)
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n/an/a 1.40E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167382
PNG
(US9073881, 134)
Show SMILES OC(=O)c1cc(ccc1-c1ccc(F)cc1Cl)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H11Cl3FNO2S/c23-17-6-2-11(8-19(17)25)20-10-30-21(27-20)12-1-4-14(16(7-12)22(28)29)15-5-3-13(26)9-18(15)24/h1-10H,(H,28,29)
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n/an/a 1.40E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM167323
PNG
(US9073881, 72)
Show SMILES OC(=O)c1cc(ccc1-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H19Cl2FN2O3S/c31-25-12-8-20(14-26(25)32)27-16-39-29(35-27)21-7-11-23(24(13-21)30(37)38)18-3-5-19(6-4-18)28(36)34-15-17-1-9-22(33)10-2-17/h1-14,16H,15H2,(H,34,36)(H,37,38)
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n/an/a 1.50E+3n/an/an/an/a7.0n/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea ...


US Patent US9073881 (2015)


BindingDB Entry DOI: 10.7270/Q2513X0T
More data for this
Ligand-Target Pair
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