Table. 2.
Fine-tuning molecule | EC50(PPARδ) [µM] | IC50(sEH) [µM] | Tanimoto |
---|---|---|---|
0.016 | >30 | 0.17; 0.13; 0.13 | |
0.022 | >30 | 0.20; 0.15; 0.16 | |
0.009 | >30 | 0.13; 0.11; 0.11 | |
>50 | 0.005 | 0.55; 0.25; 0.27 | |
>50 | 0.097 | 0.38; 0.19; 0.19 | |
>50 | <0.001 | 0.11; 0.13; 0.13 |
Commercially available fine-tuning molecules for PPARδ/sEH were experimentally confirmed selective for their annotated bioactivity over the respective second target in the assays used to characterize the dual PPARδ/sEH ligand designs 7–9. Data are the mean; n = 3. Tanimoto refers to the fine-tuning molecules’ similarity to the experimentally tested dual ligand designs 7–9.