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PubChem

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PubChem provides information on the biological activities of small molecules.

PubChem includes substance information, compound structures, and BioActivity data in three primary databases, PcsubstancePccompound, and PCBioAssay, respectively. 

Pcsubstance contains about 93 million records.

Pccompound contains nearly 33 million unique structures.

PCBioAssay contains more than 621,000 BioAssays. Each BioAssay contains a various number of data points. 

The Substance/Compound database, where possible, provides links to BioAssay description, literature, references, and assay data points. The BioAssay database also includes links back to the Substance/Compound database. PubChem is integrated with Entrez, NCBI's primary search engine, and also provides compound neighboring, sub/superstructure, similarity structure, BioActivity data, and other searching features.

PubChem contains substance and BioAssay information from a multitude of depositors.