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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 = 'BDBM50360570'   
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))
BDBM50360570
PNG
(CHEMBL1933172)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-30-9-6-24(7-10-30)14-27-23(32)18-13-19(28-21(18)24)15-5-8-26-20(12-15)29-22(31)16-3-2-4-17(25)11-16/h2-5,8,11-13,28H,6-7,9-10,14H2,1H3,(H,27,32)(H,26,29,31)
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MMDB

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Article
PubMed
n/an/an/an/a 2.5n/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))
BDBM50360570
PNG
(CHEMBL1933172)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-30-9-6-24(7-10-30)14-27-23(32)18-13-19(28-21(18)24)15-5-8-26-20(12-15)29-22(31)16-3-2-4-17(25)11-16/h2-5,8,11-13,28H,6-7,9-10,14H2,1H3,(H,27,32)(H,26,29,31)
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 640n/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