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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 = 'BDBM50348542'   
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))
BDBM50348542
PNG
(CHEMBL1801381)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
PDB
MMDB

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348542
PNG
(CHEMBL1801381)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9.33E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair