Cdk2 inhibitor III

Ligand id: 5948

Name: Cdk2 inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 108.56
Molecular weight 400.22
XLogP 1.36
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
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 32.2 24.0 3.0
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition 40.7 18.0 2.0
cyclin dependent kinase 2 CDK2/cyclin E Hs Inhibitor Inhibition 43.6
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 46.5 11.0 2.0
cyclin dependent kinase 1 CDK1-cyclin B/CDK1-cyclin B Hs Inhibitor Inhibition 53.6 81.0 26.0
cyclin dependent kinase 9 nd/CDK9 cyclin K Hs Inhibitor Inhibition 60.6
cyclin dependent kinase 9 CDK9-cyclin T1/CDK9-cyclin T1 Hs Inhibitor Inhibition 61.6 29.0 0.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 66.0
CDC like kinase 2 CLK2/CLK2 Hs Inhibitor Inhibition 69.5 48.0 18.0
CDC like kinase 4 nd/CLK4 Hs Inhibitor Inhibition 70.0
Displaying the top 10 targets  View all targets in screen »