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Developed by Jordi Mestres, Consorci Mar Parc de Salut de Barcelona (PSMAR)

PharmaTrek allows the navigation of pharmacological space in a flexible and interactive way, by accessing the content of ChEMBL via the Open PHACTS Discovery Platform. For instance, PharmaTrek can be used to visualise a defined affinity profile for ligands on multiple targets (Mestres et al.). The results are highly filterable, and easily linked with ligand chemical structure.

Figure 1. PharmaTrek screenshot showing the interactive heatmap resulting from a query on ligands having a defined affinity profile on three serine proteases (Thrombin, Trypsin I, and Coagulation factor X.). M. C. Carrascosa, O. L. Massaguer and J. Mestres, Mol. Inf. 2012, 31, 537-541.

See here a demo video.