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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic translation initiation factor 4E' and Ligand = 'BDBM451146'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))
BDBM451146
PNG
(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
180n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and c...


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))
BDBM451146
PNG
(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/an/an/a 160n/an/an/an/an/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