bisindolylmaleimide IV   Click here for help

GtoPdb Ligand ID: 5937

Synonyms: arcyriarubin A | BIM IV | Ro-31-6233 | RO-316233
Compound class: Synthetic organic
Comment: This compound inhibits both isoforms of PKCβ [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 77.75
Molecular weight 327.1
XLogP 3.18
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Isomeric SMILES O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
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.

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
ribosomal protein S6 kinase A2 Rsk3/RSK3 Hs Inhibitor Inhibition 11.5 5.0 0.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 16.1 19.0 1.0
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 17.2 12.0 0.0
ribosomal protein S6 kinase A6 Rsk4/RSK4 Hs Inhibitor Inhibition 19.2 9.0 1.0
protein kinase C epsilon PKCε/PKCepsilon Hs Inhibitor Inhibition 24.0 63.0 21.0
protein kinase C beta PKCβI/PKCb1 Hs Inhibitor Inhibition 26.1 66.0 23.0
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 27.7 26.0 4.0
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 27.7 19.0 4.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 28.4 31.0 6.0
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 32.7 93.0 73.0
Displaying the top 10 targets  View all targets in screen »