The idea behind the design of a diversity set is to represent entire compound collection in smaller number of compounds while retaining sufficient coverage of the collection. Usually the diversity of chemical structures selected in screening set is used as a primary measure of coverage quality. Thus, screening of the diversity set can help in fast identification of initial hits scattered over much larger collection. Utilization of a pre-plated set provides a good option for quick start of a screening project, as all offered sets are ready for immediate dispatch and can be delivered within 10 business days.
Enamine offers two types of diversity screening sets.
Drug-like Set was generated from HTS and Historical Collections (1.5 million compounds) to achieve maximal diversity. Compounds included in the set passed the most rigorous drug-like filters (Lipinski Ro5, Veber rule) and were subjected to diversity sorting and selection to yield 20,160 representative compounds available exclusively from Enamine.
Pharmacological Diversity Set was designed specifically for screening against biological targets. Realization that chemical space of available stock compounds is not equal to biologically relevant space which is more important in drug discovery studies brought up the requirement to profile compounds by over 3,000 biological activities prior to structural diversity sorting. All drug-like compounds from 3 parts of Enamine screening collection were tested in silico using ligand-based model and then structures were clustered using results of this profiling. Structural diversity sorting and selection on the final step led to the set of 10,240 compounds. This set covers wide range of pharmacological activities while retaining high structural diversity and appropriate ADMET properties.
Compounds from pre-plated sets are supplied as 0.5 mol, 10 mM DMSO solutions, in Matrix 384 well plates, 320 comp. / plate.
Please visit our web-site for additional information on pre-plated screening sets.