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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic elongation factor 2 kinase' and Ligand = 'BDBM50053584'   
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 elongation factor 2 kinase


(Homo sapiens (Human))
BDBM50053584
PNG
(CHEMBL1977874)
Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O
Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
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n/an/a 280n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
ATP competitive inhibition of human eEF-2K using 5 uM ATP


Bioorg Med Chem 22: 4910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.06.050
BindingDB Entry DOI: 10.7270/Q2XD139S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic elongation factor 2 kinase


(Homo sapiens (Human))
BDBM50053584
PNG
(CHEMBL1977874)
Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O
Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of eEF2K (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112505
BindingDB Entry DOI: 10.7270/Q2M90D99
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic elongation factor 2 kinase


(Homo sapiens (Human))
BDBM50053584
PNG
(CHEMBL1977874)
Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O
Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
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n/an/a 420n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla...


Bioorg Med Chem 22: 4910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.06.050
BindingDB Entry DOI: 10.7270/Q2XD139S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic elongation factor 2 kinase


(Homo sapiens (Human))
BDBM50053584
PNG
(CHEMBL1977874)
Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O
Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
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n/an/a 420n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128759
BindingDB Entry DOI: 10.7270/Q26114D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic elongation factor 2 kinase


(Homo sapiens (Human))
BDBM50053584
PNG
(CHEMBL1977874)
Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O
Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
PDB

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CHEMBL
MCE
PC cid
PC sid
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n/an/a 510n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of eEF2K (unknown origin) using peptide MH-1 as substrate after 2 hrs by ADP-Glo luminescent assay


Eur J Med Chem 143: 402-418 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.065
BindingDB Entry DOI: 10.7270/Q28C9ZS6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)