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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 = 'BDBM50348497'   
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))
BDBM50348497
PNG
(CHEMBL1801311)
Show SMILES Cn1c-2c(CCc3cnc(cc-23)-c2ccccc2F)c2c1C1(CNC1)CNC2=O
Show InChI InChI=1S/C23H21FN4O/c1-28-20-15(19-21(28)23(10-25-11-23)12-27-22(19)29)7-6-13-9-26-18(8-16(13)20)14-4-2-3-5-17(14)24/h2-5,8-9,25H,6-7,10-12H2,1H3,(H,27,29)
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348497
PNG
(CHEMBL1801311)
Show SMILES Cn1c-2c(CCc3cnc(cc-23)-c2ccccc2F)c2c1C1(CNC1)CNC2=O
Show InChI InChI=1S/C23H21FN4O/c1-28-20-15(19-21(28)23(10-25-11-23)12-27-22(19)29)7-6-13-9-26-18(8-16(13)20)14-4-2-3-5-17(14)24/h2-5,8-9,25H,6-7,10-12H2,1H3,(H,27,29)
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 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair