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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-interacting serine/threonine-protein kinase 2' and Ligand = 'BDBM98036'   
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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
4.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.430



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibition of kinase activity of Mnk1 and Mnk2a was assessed with the same assay system, using pre-activated GST-Mnk1 or GST-Mnk2a, respectively. The...


US Patent US8853193 (2014)


BindingDB Entry DOI: 10.7270/Q2GX4983
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair