ChEMBL: a large-scale bioactivity database for drug discovery.
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Date
2012-01-01ICR Author
Author
Gaulton, A
Bellis, LJ
Bento, AP
Chambers, J
Davies, M
Hersey, A
Light, Y
McGlinchey, S
Michalovich, D
Al-Lazikani, B
Overington, JP
Type
Journal Article
Metadata
Show full item recordAbstract
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.
Collections
Subject
Humans
Proteins
Pharmaceutical Preparations
User-Computer Interface
Databases, Factual
Databases, Protein
Drug Discovery
Research team
Computational Biology and Chemogenomics
Language
eng
License start date
2012-01
Citation
Nucleic acids research, 2012, 40 (Database issue), pp. D1100 - D1107
Publisher
OXFORD UNIV PRESS