BDBM50294220 2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-7-methyl-6-oxido-9H-purin-7-ium::CHEMBL555899
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
InChI Key: InChIKey=FHHZHGZBHYYWTG-INFSMZHSSA-K
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus) | BDBM50294220 (2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warsaw Curated by ChEMBL | Assay Description Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo... | Bioorg Med Chem Lett 19: 1921-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.053 BindingDB Entry DOI: 10.7270/Q2NP24FN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus) | BDBM50294220 (2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...) | 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) | BDBM50294220 (2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...) | 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) | ||||||||||||
Eukaryotic translation initiation factor 4E (Oryctolagus cuniculus) | BDBM50294220 (2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...) | 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 eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c... | Bioorg Med Chem Lett 19: 1921-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.053 BindingDB Entry DOI: 10.7270/Q2NP24FN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |