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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 = 'BDBM50344749'   
Target
(Institution)
LigandTarget
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))
BDBM50344749
PNG
(1-(2-aminoethyl)-3-(2-(quinolin-3-yl)pyridin-4-yl)...)
Show SMILES NCCn1nc(cc1C(O)=O)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27)
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Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3818-22 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)