Cdk1/2 inhibitor III

Ligand id: 5946

Name: Cdk1/2 inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 153.95
Molecular weight 425.05
XLogP 1.97
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
cyclin dependent kinase 1 CDK1-cyclin B/CDK1-cyclin B Hs Inhibitor Inhibition -1.8 0.0 -1.0
cyclin dependent kinase 3 CDK3-cyclin E/CDK3-cyclin E Hs Inhibitor Inhibition -0.9 -2.0 0.0
ribosomal protein S6 kinase A3 Rsk2/RSK2 Hs Inhibitor Inhibition -0.7 0.0 -1.0
LIM domain kinase 1 LIMK1/LIMK1 Hs Inhibitor Inhibition -0.6 5.0 2.0
mitogen-activated protein kinase kinase kinase 2 nd/MEKK2 Hs Inhibitor Inhibition -0.5
mitogen-activated protein kinase kinase kinase 9 MLK1/MLK19MAP3K90 Hs Inhibitor Inhibition -0.4 -1.0 -1.0
cyclin dependent kinase 1 nd/CDK1-cyclin A Hs Inhibitor Inhibition -0.2
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 0.2 -2.0 -1.0
Rho associated coiled-coil containing protein kinase 1 ROCK-I/ROCK1 Hs Inhibitor Inhibition 0.2 6.0 1.0
microtubule affinity regulating kinase 3 nd/MARK3 Hs Inhibitor Inhibition 0.3
Displaying the top 10 targets  View all targets in screen »