Abstract: The present study was conducted with the aim to form an inclusion complex of a toxic carcinogenic mutagenic agent Ethidium-bromide (EtBr) with the host molecule β-cyclodextrin (β-CD). The spectroscopy study of this inclusion complex in absence and presence of β-CD was carried out by Nuclear magnetic resonance (NMR). The binding constant and stoichiometry of the complexes were determined by Scott’s method. The inclusion complex of EtBr with β-CD was further confirmed by 2D 1H-1H NMR and further by molecular docking technique. The binding constant and stoichiometry ratio were found to be 301 M-1 and 1:1, respectively which indicate the successful formation of the inclusion complex between EtBr and β-CD.