DNA-PK inhibitor III

Ligand id: 5960

Name: DNA-PK inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 49.77
Molecular weight 221.11
XLogP 0.96
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: 1,3

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
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 73.4 101.0 102.0
mitogen-activated protein kinase 10 JNK3/JNK3 Hs Inhibitor Inhibition 78.4 88.0 85.0
mitogen-activated protein kinase 12 SAPK3/P38g Hs Inhibitor Inhibition 78.7 110.0 102.0
histone H3 associated protein kinase Haspin/Haspin Hs Inhibitor Inhibition 79.6 78.0 39.0
NIMA related kinase 2 NEK2/NEK2 Hs Inhibitor Inhibition 81.3 84.0 104.0
EPH receptor B2 EphB2/EPHB2 Hs Inhibitor Inhibition 82.5 117.0 106.0
mitogen-activated protein kinase kinase kinase 14 nd/NIK(MAP3K14) Hs Inhibitor Inhibition 82.6
Protein kinase G (PKG) 1 PKG1β/PKG1b Hs Inhibitor Inhibition 84.1 95.0 87.0
cyclin dependent kinase 1 CDK1-cyclin B/CDK1-cyclin B Hs Inhibitor Inhibition 86.8 104.0 100.0
salt inducible kinase 2 nd/SIK2 Hs Inhibitor Inhibition 87.0
Displaying the top 10 targets  View all targets in screen »