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PDB code 3R30

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (319/319 = 100%)
(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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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)


Article DOI: 10.1016/j.bmcl.2011.04.018
BindingDB Entry DOI: 10.7270/Q26973W4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output