Compounds with multi-target activities forming target cliffs and selectivity cliffs

On the basis of high-confidence activity data assembled from ChEMBL release 20, compounds active against one or more pairs of targets are provided (in the file 'Compounds_In_Target_Pairs.xlsx') for the Ki and IC50 value-based data sets, respectively. Target cliffs formed by selective compounds are listed in the file 'Target_Cliffs.xlsx'. In addition, selectivity cliffs formed by structurally analogous compounds with significantly different selectivity are given in the file 'Selectivity_Cliffs.xlsx'. The content of individual files is detailed in the README file