AG 112

Ligand id: 5913

Name: AG 112

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 117.62
Molecular weight 236.07
XLogP 1.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1-2

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
polo like kinase 1 Plk1/PLK1 Hs Inhibitor Inhibition 60.8 79.0 36.0
polo like kinase 3 Plk3/PLK3 Hs Inhibitor Inhibition 63.6 79.0 27.0
unc-51 like kinase 3 ULK3/ULK3 Hs Inhibitor Inhibition 67.8 100.0 92.0
oxidative stress responsive 1 nd/OSR1(OXSR1) Hs Inhibitor Inhibition 72.2
serine/threonine kinase 17a DRAK1/DRAK1(STK17A) Hs Inhibitor Inhibition 72.8 91.0 112.0
MAP kinase interacting serine/threonine kinase 1 nd/MNK1 Hs Inhibitor Inhibition 77.2
mitogen-activated protein kinase kinase kinase 3 nd/MEKK3 Hs Inhibitor Inhibition 78.6
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 78.7 109.0 106.0
MAP kinase interacting serine/threonine kinase 2 Mnk2/MNK2 Hs Inhibitor Inhibition 79.1 99.0 50.0
BMX non-receptor tyrosine kinase Bmx/BMX(ETK) Hs Inhibitor Inhibition 80.0 104.0 99.0
Displaying the top 10 targets  View all targets in screen »