Journal
DRUG DISCOVERY TODAY
Volume 15, Issue 23-24, Pages 1052-1057Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2010.10.003
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Funding
- National Institutes of Health, National Library of Medicine
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Pub Chem is a public repository of small molecules and their biological properties. Currently, it contains more than 25 million unique chemical structures and 90 million bioactivity outcomes associated with several thousand macromolecular targets. To address the potential utility of this public resource for drug discovery, we systematically summarized the protein targets in Pub Chem by function, 3D structure and biological pathway. Moreover, we analyzed the potency, selectivity and promiscuity of the bioactive compounds identified for these biological targets, including the chemical probes generated by the NIH Molecular Libraries Program. As a public resource, Pub Chem lowers the barrier for researchers to advance the development of chemical tools for modulating biological processes and drug candidates for disease treatments.
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