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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 = 'BDBM50360565'   
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))
BDBM50360565
PNG
(CHEMBL1933177)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccncc1
Show InChI InChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 22: 613-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.071
BindingDB Entry DOI: 10.7270/Q2RN389G
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50360565
PNG
(CHEMBL1933177)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccncc1
Show InChI InChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)
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>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...


Bioorg Med Chem Lett 22: 613-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.071
BindingDB Entry DOI: 10.7270/Q2RN389G
More data for this
Ligand-Target Pair