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BDBM50316310 ((2R,3S,4R,5R)-5-(2-Amino-7-(2-chloro-5-fluorobenzyl)-6-oxo-1H-purin-1-ium-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate::CHEMBL1098608

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

InChI Key: InChIKey=NOKWLXLUIMVIBK-XNIJJKJLSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316310   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316310
PNG
(((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

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Similars

Article
PubMed
n/an/an/a 3.10E+3n/an/an/an/an/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