Chemical Screening Compounds
The initial steps of most modern drug discovery projects include high-throughput (HTS) or fragment screening. While fragment based screening accepts relatively small screening deck of up to several thousand fragments to cover large chemical space, HTS typically requires much larger compound collection to succeed. In addition, the screening deck has to be well designed to reveal novelty, diversity, and ability to easy follow-up by using close analogues from the in-house or commercial collections to generate structure activity relationship (SAR).
On Chemspace, we have gathered a 50M screening compound collection from different suppliers including Intermed, FCH group, UORSY, - to name a few. The collection has included novel compounds with favorable physicochemical profiles. It will provide a valuable addition to any in-house screening compound collection as well as a basement to establish a new one.
In addition, we have placed compound sets: general, targeted, and focused. The sets designed to include molecules with specific physicochemical profiles or properties, i.e. fragment-like, lead-like, or to target a class of biological objects, i.e. kinases, or a protein of interest, i.e. DYRK1A. These libraries are available for download as an SD file. You can further select any number of compounds based on the results of similarity search or virtual screening against your target.
Screening compounds are supplied as solids, solutions, or dry films.