BDBM50316307 ((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo-1Hpurin-1-ium-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylphosphate::CHEMBL1095620
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
InChI Key: InChIKey=FNDXXZIKXUWWSU-XNIJJKJLSA-N
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 (Mus musculus) | BDBM50316307 (((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 (Oryctolagus cuniculus) | BDBM50316307 (((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ... | 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 Structure (docked) | ||||||||||||
Eukaryotic translation initiation factor 4E (eIF4E) (Homo sapiens (Human)) | BDBM50316307 (((2R,3S,4R,5R)-5-(2-Amino-7-(4-chlorobenzyl)-6-oxo...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |