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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50362175'   
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-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362175
PNG
(CHEMBL1938687)
Show SMILES N#Cc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
Show InChI InChI=1S/C24H20N6O/c25-14-16-1-3-17(4-2-16)22-13-19-11-18-12-20(29-9-7-26-8-10-29)5-6-21(18)30-15-27-28-24(30)23(19)31-22/h1-6,12-13,15,26H,7-11H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using TAMRA-labeled peptide as substrate pre-incubated for 30 mins prior substrate addition measured after 30 mins incubation in da...


Bioorg Med Chem Lett 22: 1068-72 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.113
BindingDB Entry DOI: 10.7270/Q23J3DDJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362175
PNG
(CHEMBL1938687)
Show SMILES N#Cc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
Show InChI InChI=1S/C24H20N6O/c25-14-16-1-3-17(4-2-16)22-13-19-11-18-12-20(29-9-7-26-8-10-29)5-6-21(18)30-15-27-28-24(30)23(19)31-22/h1-6,12-13,15,26H,7-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation at Ser78 in LPS-stimulated human THP-1 cells pre-incubated for 60 mins before LPS treatment measured...


Bioorg Med Chem Lett 22: 1068-72 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.113
BindingDB Entry DOI: 10.7270/Q23J3DDJ
More data for this
Ligand-Target Pair