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Compile Data Set for Download or QSAR

Found 328 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic translation initiation factor 4E (eIF4E)'   
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))
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/an/a 0.0160n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50525089
PNG
(CHEMBL4464315)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C90H134N24O21/c1-51(2)43-66(77(124)101-50-73(118)103-68(46-55-23-11-7-12-24-55)85(132)108-63(35-37-72(93)117)82(129)109-65(76(94)123)45-54-21-9-6-10-22-54)110-84(131)67(44-52(3)4)111-86(133)69(47-56-25-13-8-14-26-56)113-83(130)64(36-38-74(119)120)107-80(127)61(29-19-41-99-89(95)96)106-88(135)71(49-75(121)122)114-87(134)70(48-57-31-33-58(116)34-32-57)112-81(128)62(30-20-42-100-90(97)98)105-79(126)60(28-16-18-40-92)104-78(125)59(102-53(5)115)27-15-17-39-91/h6-14,21-26,31-34,51-52,59-71,116H,15-20,27-30,35-50,91-92H2,1-5H3,(H2,93,117)(H2,94,123)(H,101,124)(H,102,115)(H,103,118)(H,104,125)(H,105,126)(H,106,135)(H,107,127)(H,108,132)(H,109,129)(H,110,131)(H,111,133)(H,112,128)(H,113,130)(H,114,134)(H,119,120)(H,121,122)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
PDB

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n/an/an/a 0.0460n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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Similars

Article
PubMed
n/an/an/a 0.5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to purified elF4E


Bioorg Med Chem 18: 7746-52 (2010)


Article DOI: 10.1016/j.bmc.2010.04.005
BindingDB Entry DOI: 10.7270/Q2KS6RTZ
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/an/a 2.20n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as binding constant by surface plasm...


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))
BDBM50525091
PNG
(CHEMBL4447089)
Show SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(N)=O |r,c:13|
Show InChI InChI=1S/C75H130N22O16/c1-43(2)38-54(60(79)102)95-71(113)75(9)33-17-13-11-10-12-16-32-74(8,70(112)94-53(30-31-59(78)101)64(106)90-55(39-44(3)4)65(107)91-56(40-45(5)6)69(111)97-75)96-68(110)52(25-21-37-85-73(82)83)89-67(109)58(42-98)93-66(108)57(41-47-26-28-48(100)29-27-47)92-63(105)51(24-20-36-84-72(80)81)88-62(104)50(23-15-19-35-77)87-61(103)49(86-46(7)99)22-14-18-34-76/h10-11,26-29,43-45,49-58,98,100H,12-25,30-42,76-77H2,1-9H3,(H2,78,101)(H2,79,102)(H,86,99)(H,87,103)(H,88,104)(H,89,109)(H,90,106)(H,91,107)(H,92,105)(H,93,108)(H,94,112)(H,95,113)(H,96,110)(H,97,111)(H4,80,81,84)(H4,82,83,85)/b11-10-/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,74-,75-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/an/a 5.20n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50525087
PNG
(CHEMBL4577429)
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@@]1(C)CCC\C=C/CCC[C@](C)(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(=O)N[C@@H](CC(N)=O)C(N)=O |r,c:79|
Show InChI InChI=1S/C92H149N27O22S2/c1-12-50(5)70(117-84(138)71(51(6)13-2)116-75(129)58(29-24-39-102-89(97)98)108-85(139)72(52(7)120)115-68(124)47-104-53(8)121)83(137)112-63(44-55-31-33-56(122)34-32-55)77(131)111-65(46-69(125)126)79(133)106-59(30-25-40-103-90(99)100)81(135)118-91(9)36-21-16-14-15-17-22-37-92(10,87(141)114-66(48-142)80(134)105-57(28-23-38-101-88(95)96)74(128)109-61(73(94)127)45-67(93)123)119-82(136)60(35-41-143-11)107-76(130)62(42-49(3)4)110-78(132)64(113-86(91)140)43-54-26-19-18-20-27-54/h14-15,18-20,26-27,31-34,49-52,57-66,70-72,120,122,142H,12-13,16-17,21-25,28-30,35-48H2,1-11H3,(H2,93,123)(H2,94,127)(H,104,121)(H,105,134)(H,106,133)(H,107,130)(H,108,139)(H,109,128)(H,110,132)(H,111,131)(H,112,137)(H,113,140)(H,114,141)(H,115,124)(H,116,129)(H,117,138)(H,118,135)(H,119,136)(H,125,126)(H4,95,96,101)(H4,97,98,102)(H4,99,100,103)/b15-14-/t50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-,91-,92-/m0/s1
PDB

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n/an/an/a 5.30n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
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|
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n/an/an/a 7.20n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as binding constant by surface plasm...


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))
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
PDB

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n/an/an/a 17n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as binding constant by surface plasm...


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))
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 |r|
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
n/an/an/a 20n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
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/an/a 21n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 30n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50525090
PNG
(CHEMBL4558213)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O |r,c:25|
Show InChI InChI=1S/C97H146N24O19/c1-58(2)51-72-85(132)115-73(52-59(3)4)91(138)121-97(7,93(140)118-75(54-62-31-17-13-18-32-62)87(134)112-70(43-44-78(100)124)84(131)113-71(80(101)127)53-61-29-15-12-16-30-61)46-24-11-9-8-10-23-45-96(6,92(139)119-76(88(135)114-72)55-63-33-19-14-20-34-63)120-90(137)69(38-28-50-107-95(104)105)111-89(136)77(57-79(125)126)117-86(133)74(56-64-39-41-65(123)42-40-64)116-83(130)68(37-27-49-106-94(102)103)110-82(129)67(36-22-26-48-99)109-81(128)66(108-60(5)122)35-21-25-47-98/h8-9,12-20,29-34,39-42,58-59,66-77,123H,10-11,21-28,35-38,43-57,98-99H2,1-7H3,(H2,100,124)(H2,101,127)(H,108,122)(H,109,128)(H,110,129)(H,111,136)(H,112,134)(H,113,131)(H,114,135)(H,115,132)(H,116,130)(H,117,133)(H,118,140)(H,119,139)(H,120,137)(H,121,138)(H,125,126)(H4,102,103,106)(H4,104,105,107)/b9-8-/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,96-,97-/m0/s1
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n/an/an/a 30n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50525089
PNG
(CHEMBL4464315)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C90H134N24O21/c1-51(2)43-66(77(124)101-50-73(118)103-68(46-55-23-11-7-12-24-55)85(132)108-63(35-37-72(93)117)82(129)109-65(76(94)123)45-54-21-9-6-10-22-54)110-84(131)67(44-52(3)4)111-86(133)69(47-56-25-13-8-14-26-56)113-83(130)64(36-38-74(119)120)107-80(127)61(29-19-41-99-89(95)96)106-88(135)71(49-75(121)122)114-87(134)70(48-57-31-33-58(116)34-32-57)112-81(128)62(30-20-42-100-90(97)98)105-79(126)60(28-16-18-40-92)104-78(125)59(102-53(5)115)27-15-17-39-91/h6-14,21-26,31-34,51-52,59-71,116H,15-20,27-30,35-50,91-92H2,1-5H3,(H2,93,117)(H2,94,123)(H,101,124)(H,102,115)(H,103,118)(H,104,125)(H,105,126)(H,106,135)(H,107,127)(H,108,132)(H,109,129)(H,110,131)(H,111,133)(H,112,128)(H,113,130)(H,114,134)(H,119,120)(H,121,122)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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n/an/an/a 48n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 110n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50525092
PNG
(CHEMBL4444144)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C68H118N22O18/c1-36(2)30-48(56(72)98)81-54(95)34-79-57(99)49(31-37(3)4)87-64(106)50(32-38(5)6)88-63(105)46(22-24-53(71)94)85-62(104)47(23-25-55(96)97)86-60(102)44(16-12-28-77-67(73)74)84-66(108)52(35-91)90-65(107)51(33-40-18-20-41(93)21-19-40)89-61(103)45(17-13-29-78-68(75)76)83-59(101)43(15-9-11-27-70)82-58(100)42(80-39(7)92)14-8-10-26-69/h18-21,36-38,42-52,91,93H,8-17,22-35,69-70H2,1-7H3,(H2,71,94)(H2,72,98)(H,79,99)(H,80,92)(H,81,95)(H,82,100)(H,83,101)(H,84,108)(H,85,104)(H,86,102)(H,87,106)(H,88,105)(H,89,103)(H,90,107)(H,96,97)(H4,73,74,77)(H4,75,76,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/a 123n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...


J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
BindingDB Entry DOI: 10.7270/Q2JQ14FP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 160n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 220n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 300n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


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



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


(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 |r|
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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n/an/an/a 410n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50249977
PNG
(CHEMBL1234304)
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)/p+1/t10-,12-,13-,16-/m1/s1
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n/an/an/a 800n/an/an/an/an/a



Department of Internal Medicine, Division of Hematology, Mayo Clinic , Rochester, Minnesota 55905, United States.

Curated by ChEMBL


Assay Description
Binding affinity to eIF4E (unknown origin) by fluorescence titration assay


J Med Chem 60: 8131-8144 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00916
BindingDB Entry DOI: 10.7270/Q28W3GRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50613701
PNG
(CHEBI:17825 | CHEMBL1232939)
PDB

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n/an/an/a 3.90E+3n/an/an/an/an/a


TBA



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


(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 |r|
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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n/an/an/a 6.00E+3n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 6.50E+3n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 6.50E+3n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 6.50E+3n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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
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NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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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n/an/an/a 6.50E+3n/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.


US Patent US10676499 (2020)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50607960
PNG
(CHEMBL5289039)
PDB

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n/an/an/a 2.50E+4n/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50613702
PNG
(CHEMBL5282449)
PDB

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n/an/an/a 5.65E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50613704
PNG
(CHEMBL5283082)
PDB

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n/an/an/a 5.78E+4n/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50613703
PNG
(CHEMBL5286550)
PDB

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n/an/an/a 1.33E+5n/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50044268
PNG
(CHEMBL3310215)
Show SMILES Nc1ccc(C\C(=N\Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)C(O)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H13Cl2N5O4S/c19-11-3-2-10(7-12(11)20)15-8-30-18(22-15)24-23-14(17(26)27)5-9-1-4-13(21)16(6-9)25(28)29/h1-4,6-8H,5,21H2,(H,22,24)(H,26,27)/b23-14-
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n/an/an/a 5.01E+6n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) by intrinsic tryptophan fluorescence quenc...


Eur J Med Chem 77: 361-77 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.034
BindingDB Entry DOI: 10.7270/Q2Z89F19
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50018919
PNG
(CHEMBL254578)
Show SMILES OC(=O)C(\Cc1ccccc1[N+]([O-])=O)=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14-
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n/an/an/a 8.74E+6n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) by intrinsic tryptophan fluorescence quenc...


Eur J Med Chem 77: 361-77 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.034
BindingDB Entry DOI: 10.7270/Q2Z89F19
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM50044269
PNG
(CHEMBL3310347)
Show SMILES OC(=O)C(\Cc1ccccc1[N+]([O-])=O)=N/Nc1nc(cs1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14N4O5S/c23-13-7-5-11(6-8-13)15-10-28-18(19-15)21-20-14(17(24)25)9-12-3-1-2-4-16(12)22(26)27/h1-8,10,23H,9H2,(H,19,21)(H,24,25)/b20-14-
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n/an/an/a 3.66E+7n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) by intrinsic tryptophan fluorescence quenc...


Eur J Med Chem 77: 361-77 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.034
BindingDB Entry DOI: 10.7270/Q2Z89F19
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
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))
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2K64N44
More data for this
Ligand-Target Pair
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