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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 5' and Ligand = 'BDBM50365785'   
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 5


(Homo sapiens (Human))
BDBM50365785
PNG
(CHEMBL1956564)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27)
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Article
PubMed
n/an/a 914n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.077
BindingDB Entry DOI: 10.7270/Q2CR5TT6
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50365785
PNG
(CHEMBL1956564)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27)
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.077
BindingDB Entry DOI: 10.7270/Q2CR5TT6
More data for this
Ligand-Target Pair