Abstract:

The Chinese National Compound Library of Peking University (PKU-CNCL) is a new high-throughput screening collection aimed at driving precompetitive drug discovery and target validation, and is one of satellite libraries of the Chinese National Compound Library (CNCL). It is a chemical database containing binding, functional, and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary literature on a regular basis, and further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 54 000 bioactivity measurements for more than 100 000 compounds. Access, data downloads, and web services are available at: http://www.pkucncl.cn.

Key words: Compound Library, Cheminformatics, Diversity, Scaffolds, Indications