Compile Data Set for Download or QSAR

Found 2556 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic translation initiation factor 4E'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50525088 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/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 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0460	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/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 (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| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/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 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/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 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/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 (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| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50316302 (((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50525088 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50543775 (CHEMBL4640985) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c12 |r| Show InChI InChI=1S/C11H17N5O10P2S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(25-10)2-24-28(23,29)26-27(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,29)/t4-,6-,7-,10-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50543775 (CHEMBL4640985) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c12 |r| Show InChI InChI=1S/C11H17N5O10P2S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(25-10)2-24-28(23,29)26-27(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,29)/t4-,6-,7-,10-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451152 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/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 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50316303 (((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)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50525089 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50316303 (((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)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316303 (((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)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Displacement of pyrene-labeled 7-methylguanosine-pentaphosphate probe from murine eIF4E assessed as decrease in fluorescence intensity incubated for ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451158 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50543779 (CHEMBL4635767) Show SMILES N.N.C[n+]1cn([C@@H]2O[C@H](COP(S)(=O)OP(O)(=O)NCCc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c12 |r| Show InChI InChI=1S/C21H27N7O9P2S.2H3N/c1-27-10-28(18-15(27)19(31)26-21(22)25-18)20-17(30)16(29)14(36-20)9-35-39(34,40)37-38(32,33)24-7-6-11-8-23-13-5-3-2-4-12(11)13;;/h2-5,8,10,14,16-17,20,23,29-30H,6-7,9H2,1H3,(H5-,22,24,25,26,31,32,33,34,40);2*1H3/t14-,16-,17-,20-,39?;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Displacement of pyrene-labeled 7-methylguanosine-pentaphosphate probe from murine eIF4E assessed as decrease in fluorescence intensity incubated for ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50543779 (CHEMBL4635767) Show SMILES N.N.C[n+]1cn([C@@H]2O[C@H](COP(S)(=O)OP(O)(=O)NCCc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c12 |r| Show InChI InChI=1S/C21H27N7O9P2S.2H3N/c1-27-10-28(18-15(27)19(31)26-21(22)25-18)20-17(30)16(29)14(36-20)9-35-39(34,40)37-38(32,33)24-7-6-11-8-23-13-5-3-2-4-12(11)13;;/h2-5,8,10,14,16-17,20,23,29-30H,6-7,9H2,1H3,(H5-,22,24,25,26,31,32,33,34,40);2*1H3/t14-,16-,17-,20-,39?;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Displacement of pyrene-labeled 7-methylguanosine-pentaphosphate probe from murine eIF4E assessed as decrease in fluorescence intensity incubated for ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451144 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50543773 (CHEMBL4636472) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)(S)=O)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c12 |r| Show InChI InChI=1S/C11H16N5O7PS/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(23-10)2-22-24(20,21)25/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,25)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50543774 (CHEMBL4640855) Show SMILES Nc1nc([O-])c2[n+](Cc3ccccc3)cn([C@@H]3O[C@H](COP(O)(S)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H20N5O7PS/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(29-16)7-28-30(26,27)31/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,31)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50613700 (CHEBI:50226 | CHEMBL1234303) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451160 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50316305 (((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50543778 (CHEMBL4640425) Show SMILES N.N.C[n+]1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NCCc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c12 |r| Show InChI InChI=1S/C21H27N7O10P2.2H3N/c1-27-10-28(18-15(27)19(31)26-21(22)25-18)20-17(30)16(29)14(37-20)9-36-40(34,35)38-39(32,33)24-7-6-11-8-23-13-5-3-2-4-12(11)13;;/h2-5,8,10,14,16-17,20,23,29-30H,6-7,9H2,1H3,(H5-,22,24,25,26,31,32,33,34,35);2*1H3/t14-,16-,17-,20-;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Displacement of pyrene-labeled 7-methylguanosine-pentaphosphate probe from murine eIF4E assessed as decrease in fluorescence intensity incubated for ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451154 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a	n/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 (Mus musculus)	BDBM50316305 (((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in absence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50249977 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316304 (((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115523 BindingDB Entry DOI: 10.7270/Q2BZ69MF
					More data for this Ligand-Target Pair				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316305 (((2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-...) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316306 (((2R,3S,4R,5R)-5-(2-Amino-7-(3-fluorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3cccc(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/C17H19FN5O8P/c18-9-3-1-2-8(4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316307 (((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3ccc(Cl)cc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316304 (((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled m7GDPC4H5 binding to mouse eIF4E (28 to 217 residues) by MST method				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				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316308 (((2R,3S,4R,5R)-5-(2-Amino-7-(3-chlorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3cccc(Cl)c3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19ClN5O8P/c18-9-3-1-2-8(4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316306 (((2R,3S,4R,5R)-5-(2-Amino-7-(3-fluorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3cccc(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/C17H19FN5O8P/c18-9-3-1-2-8(4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in absence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316309 (((2R,3S,4R,5R)-5-(2-Amino-7-(2-chlorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3Cl)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19ClN5O8P/c18-9-4-2-1-3-8(9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316310 (((2R,3S,4R,5R)-5-(2-Amino-7-(2-chloro-5-fluorobenz...) Show SMILES Nc1nc2n(c[n+](Cc3cc(F)ccc3Cl)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18ClFN5O8P/c18-9-2-1-8(19)3-7(9)4-23-6-24(14-11(23)15(27)22-17(20)21-14)16-13(26)12(25)10(32-16)5-31-33(28,29)30/h1-3,6,10,12-13,16,25-26H,4-5H2,(H4-,20,21,22,27,28,29,30)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316311 (((2R,3S,4R,5R)-5-(2-Amino-7-(2-fluorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3F)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19FN5O8P/c18-9-4-2-1-3-8(9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in absence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50613701 (CHEBI:17825 | CHEMBL1232939) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PDB UniChem		n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316311 (((2R,3S,4R,5R)-5-(2-Amino-7-(2-fluorobenzyl)-6-oxo...) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3F)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19FN5O8P/c18-9-4-2-1-3-8(9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50316312 (((2R,3S,4R,5R)-5-(2-Amino-7-(4-carboxybenzyl)-6-ox...) Show SMILES Nc1nc2n(c[n+](Cc3ccc(cc3)C(O)=O)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H20N5O10P/c19-18-20-14-11(15(26)21-18)22(5-8-1-3-9(4-2-8)17(27)28)7-23(14)16-13(25)12(24)10(33-16)6-32-34(29,30)31/h1-4,7,10,12-13,16,24-25H,5-6H2,(H5-,19,20,21,26,27,28,29,30,31)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.59E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA				Eur J Med Chem 45: 1304-13 (2010) Article DOI: 10.1016/j.ejmech.2009.11.054 BindingDB Entry DOI: 10.7270/Q21C1X1Q
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Mus musculus)	BDBM50452630 (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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled m7GDPC4H5 binding to mouse eIF4E (28 to 217 residues) by MST method				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
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM451156 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/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

Displayed 1 to 50 (of 2556 total )  |  Next  |  Last  >>

Jump to: