Pan-assay interference compounds, or PAINS, are a specific group of compounds with defined structures that fall into several classes. However, these compounds are often not recognized by biologists and less experienced chemists. They are often reported as having potent activity against a wide range of proteins, leading to wasted time and resources in trying to improve their activity. This results in chemists creating multiple variations of these compounds in hopes of finding a better fit with proteins while overlooking other compounds with real potential.
The binary star database is a carefully curated library of millions of compounds that have good ADME properties, free of Pan-Assay Interference compounds (PAINS), and free of unwanted functionalities.
Credit: Illustration by Roz Chast
