ChEMBL

ChEMBL is a manually curated chemical database maintained by the European Bioinformatics Institute (EBI), part of the European Molecular Biology Laboratory (EMBL). It is intended to provide a comprehensive resource for those working in the fields of drug discovery, medicinal chemistry and pharmacology.

Overview

ChEMBL contains information on bioactive molecules, including their chemical structure, calculated properties (e.g., logP, Molecular Weight, Lipinski Parameters, etc.), and abstracted bioactivities (e.g., binding constants, pharmacology and ADMET data). The database is updated on a regular basis to include new data from both the published literature and direct data depositions.

Data Content

The ChEMBL database contains a vast amount of data, with over 2 million distinct compounds and more than 1 million bioactivity measurements. The data is sourced from a variety of places, including scientific literature, patent applications, and direct data depositions.

Access

ChEMBL data can be accessed through a web interface, or downloaded in full for local use. The data is also available through a number of web services, and can be integrated with other databases and software tools.

See Also

• PubChem
• DrugBank
• BindingDB
• Comparative Toxicogenomics Database
• Therapeutic Target Database

External Links

• Official ChEMBL website

ChEMBL Resources
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