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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 = 'BDBM50433767'   
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))
BDBM50433767
PNG
(CHEMBL2381603)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)c(Cl)c1 |r,wU:4.7,wD:1.0,(10.68,-10.98,;12.01,-11.75,;12.02,-13.29,;13.35,-14.07,;14.69,-13.3,;14.68,-11.75,;13.35,-10.99,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.03,-15.78,;23.57,-15.76,;24.35,-17.1,;25.89,-17.09,;23.59,-18.44,;24.37,-19.76,;22.05,-18.44,)|
Show InChI InChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25)/t11-,12-
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Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
BindingDB Entry DOI: 10.7270/Q2Z60QFW
More data for this
Ligand-Target Pair