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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 = 'BDBM50360573'   
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))
BDBM50360573
PNG
(CHEMBL1933169)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc(C)c(C)c2)c1
Show InChI InChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.30n/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))
BDBM50360573
PNG
(CHEMBL1933169)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc(C)c(C)c2)c1
Show InChI InChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32)
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 920n/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