ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).
The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs
We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.
To keep up to date with ChEMBL news and data releases subscribe to the Chembl-announce mailing list.
To keep up to date with the group's interests, new drug approvals, data analysis and conferences, visit the group blog.
You can know more about the team members here.
Currently, the main developers of the interface are:
If you would like to cite ChEMBL please refer to the following FAQ. You may also use a DOI to reference a specific release of the ChEMBL database, please refer to the Downloads page for a complete list of ChEMBL release DOIs.