Published Kinase Inhibitor Set

Introduction

The Published Kinase Inhibitor Set (PKIS) is a collection of 376 compounds that have been made available by GSK for screening by external groups; all compounds have been published in the scientific literature. The hope is to generate probe molecules for the majority of the kinome that is as yet untargeted; some background material is available here.

Some recent publications on the topic are...

For information about accessing the compounds, please contact Bill Zuercher at GSK.

Note that it is intended that the data generated using these samples be made public, perhaps after a suitable delay for publication. It is encouraged that data be submitted to a public repository such as the ChEMBL database.

Compound Structures

Information on the structures of the compounds in the set may be found here.

Accessing PKIS data in ChEMBL

ChEMBL currently contains data for the PKIS compounds in the following assay panels...

N.B. The Luciferase dataset described in the PLoS paper will be in the next release of ChEMBL (i.e. CHEMBL_17).

To download the data generated on the PKIS compounds in these assays ChEMBL, follow these steps:

  1. On the home page, enter 'GSK_PKIS' in the search box and click on the 'Assays' button...

  2. On the 'Please select...' menu on the right, choose 'Display Bioactivities'...

  3. Again, on the 'Please select...' menu on the right, choose 'Download All Data (TAB)' to download the data as a tab-separated spreadsheet...

Alternatively, all data generated on the PKIS set and deposited in ChEMBL may be downloaded in CSV format here. To complement these datasets, other data for these compounds held ChEMBL, such as that extracted from the medicinal-chemistry literature, may be downloaded in CSV format here. Note that data for all salt forms for the parents of the PKIS compounds is included here for maximum coverage.

Descriptions of the columns included these data files may be found here.