Probes & Drugs portal ver. 11.2017 is here with one brand new compound set and one new feature for the chemical space visualization.
The new compound set, Tool compound set, is a probe set published in Report and Application of a Tool Compound Data Set (J. Chem. Inf. Model.). This set consists mainly of compounds extracted from the ChEMBL database (based on stringent criteria for their potency, selectivity etc., for more details, see the paper) in combination with probes from the Chemical probes portal.
The new function of our chemical space visualization is the ability to use values associated with a filter (e.g., activities associated with a target filter) within the visualization. Anytime such filter is used, its values are automatically added as an attribute which can be accessed and used through the chemical space menu. As an example, in the picture below, you can see chemical space visualization based on the ligands of Androgen and Glucocorticoid receptor where the points are colored according to their activity on the Androgen receptor. The ones not associated with the filter are gray.
Again, if you have any suggestions for new compound sets or new functions, or if you stumble on an error, please, let us know through the contact form.