A unique collection of 5,760 compounds designed for identification of new actives against proteins essential for DNA stability. The library comprises compounds with in silico predicted activity against key housekeeping proteins essential for DNA stability.
The library was designed to find molecules which target Beta-secretase (BACE). Beta-secretase (BACE) is an aspartic-acid protease important in the formation of myelin sheaths in peripheral nerve cells.
Diversity-based screening continues to be a vital tool for drug discovery. Efficiency and productivity can be improved by using screening libraries that offer maximum diversity whilst retaining drug-like properties. Chemspace Scaffold derived set composes 10,119 compounds, which including 3,373 scaffolds, 3 compounds per each. This library has exceptional coverage of drug-like chemical space.
The library was designed to find molecules which target both end-chains of water channels (Aquaporins) AQ1, AQ4, AQ5 monomers and internal central pore of AQ5, which possess same physico-chemical properties as those in AQ1 and AQ4.
Discovery Diversity Sets (DDS) are high-quality compound libraries focused on novel chemotypes and non-trivial structures. Discovery Diversity Set 50 compose of 50,240 highly diverse compounds produced only within last three years. The two sets do not overlap and deliver a total of 60 thousand compounds. The Discovery Diversity Sets are highly recommended for random screening against new as well as popular targets because they are based on diverse novel scaffolds and latest building blocks. The hits discovered are expected to easily yield lead compounds.
Discovery Diversity Sets (DDS) are high-quality compound libraries focused on novel chemotypes and non-trivial structures. Discovery Diversity Set 10 compose of 10 highly diverse compounds produced only within last three years. The Discovery Diversity Sets are highly recommended for random screening against new as well as popular targets because they are based on diverse novel scaffolds and latest building blocks. The hits discovered are expected to easily yield lead compounds.
Covalent modifiers have attracted much attention in recent years; over 30% marketed drugs have this mode of action. A set of 11,760 screening compounds bearing “warheads” for covalent target modification has been offered.
Allosteric kinase inhibition is among the most promising and sensitive deactivation mechanism of kinase activity. A unique collection of 4,800 carefully selected molecules via docking and visual evaluation has been offered.
MCE 3D 多样片段库由 5,400 个非平面片段分子组成（平均 Fsp3 值为 0.58），超过4,700个片段至少包含一个手性中心。本库设计的关键元素是 3D 结构、多样性、生物反应性等。另，库中化合物在保证高sp3中心和 3D 结构优势的同时，还有效提高了片段潜在生物活性，为基于片段的药物发现提供了更高的片段命中优化概率，增加了找到创新命中的可能性。
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.
MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).
