ChEMBL: a large-scale bioactivity database for drug discovery.

Nucleic Acids Research
Anna GaultonJohn P Overington

Abstract

ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary published literature on a regular basis, then further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 5.4 million bioactivity measurements for more than 1 million compounds and 5200 protein targets. Access is available through a web-based interface, data downloads and web services at: https://www.ebi.ac.uk/chembldb.

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Methods Mentioned

BETA
BioAssay

Software Mentioned

MySQL
AffinDB
CHEMBL
Binding MOAD
MITAB
PSICQUIC
PSI
BRENDA
Java
IUPHAR

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