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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 = 'BDBM50365791'   
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))
BDBM50365791
PNG
(CHEMBL1956570)
Show SMILES NC(=O)c1ccc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 392n/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))
BDBM50365791
PNG
(CHEMBL1956570)
Show SMILES NC(=O)c1ccc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.42E+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