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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50045422'   
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))
BDBM50045422
PNG
(CHEMBL3314143)
Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)-c1nncn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H20N6O/c24-15-17-1-3-18(4-2-17)21-9-10-22(30-21)23-27-26-16-29(23)20-7-5-19(6-8-20)28-13-11-25-12-14-28/h1-10,16,25H,11-14H2
PDB
MMDB

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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
BindingDB Entry DOI: 10.7270/Q2F47QR7
More data for this
Ligand-Target Pair