bohemine

Ligand id: 5938

Name: bohemine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 87.89
Molecular weight 340.2
XLogP 3.69
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 2 CDK2/cyclin E Hs Inhibitor Inhibition 39.5
cyclin dependent kinase 5 CDK5-p35/CDK5-p35 Hs Inhibitor Inhibition 48.3 53.0 8.0
CDC like kinase 2 CLK2/CLK2 Hs Inhibitor Inhibition 58.8 53.0 14.0
Protein kinase G (PKG) 2 nd/PKG2(PRKG2) Hs Inhibitor Inhibition 63.5
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 65.1 58.0 11.0
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 65.8 40.0 8.0
muscle associated receptor tyrosine kinase MuSK/MUSK Hs Inhibitor Inhibition 68.1 82.0 86.0
cyclin dependent kinase 9 nd/CDK9 cyclin K Hs Inhibitor Inhibition 70.6
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 71.8 99.0 102.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 73.5
Displaying the top 10 targets  View all targets in screen »