Supplementary dataset related to the paper: "Discovery of the first potent and selective αvβ5 integrin inhibitor based on an amide-containing core Integrins αvβ5 and αvβ3 are closely related, proangiogenic members of the wider RGD-binding integrin family". Due to their high sequence homology, the development of αvβ5-selective compounds has remained elusive to synthetic and medicinal chemists.