Table 1. Experimental Data for Identified Dual-Target Ligands.

^aConsensus rank from docking screens of a fragment (compound 1) or lead-like (compounds 2–4) library from the ZINC database. The ranks for the individual targets are shown in parentheses (A_2AAR/MAO-B).

^bK_i value expressed as the mean ± SEM from three independent experiments performed in duplicate or triplicate.

^cIC₅₀ value expressed as the mean ± SEM from three independent experiments performed in duplicate or triplicate.

^dThe maximal Tanimoto coefficient (ECFP4) when compared with all compounds with dual-activity at the A_2AAR and MAO-B. The maximal Tanimoto coefficient (ECFP4) for all known ligands is shown in parentheses (A_2AAR/MAO-B). 2D structures of the most similar compounds are shown in Table S5.