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PubChem

database

Provider: National Center for Biotechnology Information/National Library of Medicine
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Access Level: ,
Descriptions: PubChem provides information on the biological activities of small molecules and is a component of NIH's Molecular Libraries Roadmap Initiative. It includes substance information, compound structures, and bioactivity data in three primary databases: PCSubstance, PCCompound and PCBioAssay. PCSubstance contains more than 12 million records; PCCompound contains more than 7 million unique structures; and PCBioAssay contains more than 200 bioassays.
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DrugBank: Open Data Drug & Drug Target Database

database

Provider: David Wishart/University of Alberta, CA
Contents: ,
Access Level: ,
Descriptions: A bio- and chemical informatics resource that combines detailed drug (chemical, pharmacological and pharmaceutical) data with comprehensive drug targeting (sequence, structure, and pathway) information. The database contains nearly 4300 drug entries, including FDA-approved small molecule drugs, FDA-approved biotech (protein/peptide) drugs, "nutraceuticals" and experimental drugs. Contains more than 6,800 drug entries with almost 4,300 non-redundant protein sequences linked. Each entry, or  DrugCard, contains more than 80 data fields, half of which are devoted to drug/chemical data and the other half to drug target/protein data. Downloads and information on rights, acknowledgement and usage are available here.
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