Indole based cyclooxygenase inhibitors: Synthesis, biological evaluation, docking and NMR screening

► An indole library of 19 compounds was synthesized and evaluated against both COXs. ► One compound was found to be active at 50 μM, showing 70% COX-2 inhibition. ► The docking studies were performed and were in agreement with the experimental data. ► For the first time STD-NMR experiments were realized with COXs. ► Identification of structural motifs that have a stronger interaction with COXs.