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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 = 'BDBM50362172'   
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))
BDBM50362172
PNG
(CHEMBL1938684)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3ccnc3-c2o1)N1CCNCC1
Show InChI InChI=1S/C24H21ClN4O/c25-19-3-1-16(2-4-19)22-15-18-13-17-14-20(28-10-7-26-8-11-28)5-6-21(17)29-12-9-27-24(29)23(18)30-22/h1-6,9,12,14-15,26H,7-8,10-11,13H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7n/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))
BDBM50362172
PNG
(CHEMBL1938684)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3ccnc3-c2o1)N1CCNCC1
Show InChI InChI=1S/C24H21ClN4O/c25-19-3-1-16(2-4-19)22-15-18-13-17-14-20(28-10-7-26-8-11-28)5-6-21(17)29-12-9-27-24(29)23(18)30-22/h1-6,9,12,14-15,26H,7-8,10-11,13H2
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 1.50E+3n/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