Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50034603   

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 (Oryctolagus cuniculus)	BDBM50365099 (CHEMBL1951197) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)NP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H31N11O20P4/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)10(33)6(50-19)2-47-53(39,40)29-54(41,42)51-56(45,46)52-55(43,44)48-3-7-11(34)12(35)18(49-7)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H10-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44,45,46)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365100 (CHEMBL1951195) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)NP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H31N11O20P4/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)11(34)7(50-19)3-48-55(43,44)52-56(45,46)51-54(41,42)29-53(39,40)47-2-6-10(33)12(35)18(49-6)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H10-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44,45,46)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365099 (CHEMBL1951197) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)NP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H31N11O20P4/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)10(33)6(50-19)2-47-53(39,40)29-54(41,42)51-56(45,46)52-55(43,44)48-3-7-11(34)12(35)18(49-7)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H10-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44,45,46)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365101 (CHEMBL1951193) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)NP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H30N11O17P3/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)10(33)6(48-19)2-45-50(39,40)29-51(41,42)49-52(43,44)46-3-7-11(34)12(35)18(47-7)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H9-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365101 (CHEMBL1951193) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)NP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H30N11O17P3/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)10(33)6(48-19)2-45-50(39,40)29-51(41,42)49-52(43,44)46-3-7-11(34)12(35)18(47-7)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H9-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365103 (CHEMBL1951189) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H30N10O21P4/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(49-19)3-47-54(40,41)51-56(44,45)52-55(42,43)50-53(38,39)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H9-,22,23,25,26,27,28,36,37,38,39,40,41,42,43,44,45)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365102 (CHEMBL1951191) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)NP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H30N11O17P3/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)11(34)7(48-19)3-46-52(43,44)49-51(41,42)29-50(39,40)45-2-6-10(33)12(35)18(47-6)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H9-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50294220 (2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair				3D Structure (docked)
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365102 (CHEMBL1951191) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)NP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H30N11O17P3/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)11(34)7(48-19)3-46-52(43,44)49-51(41,42)29-50(39,40)45-2-6-10(33)12(35)18(47-6)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H9-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365100 (CHEMBL1951195) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)NP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H31N11O20P4/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)11(34)7(50-19)3-48-55(43,44)52-56(45,46)51-54(41,42)29-53(39,40)47-2-6-10(33)12(35)18(49-6)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H10-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44,45,46)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50365103 (CHEMBL1951189) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H30N10O21P4/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(49-19)3-47-54(40,41)51-56(44,45)52-55(42,43)50-53(38,39)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H9-,22,23,25,26,27,28,36,37,38,39,40,41,42,43,44,45)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus)	BDBM50294220 (2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r| Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...				Bioorg Med Chem 20: 1699-710 (2012) Article DOI: 10.1016/j.bmc.2012.01.013 BindingDB Entry DOI: 10.7270/Q2ZW1MC1
					More data for this Ligand-Target Pair				3D Structure (docked)