ChEMBL: a large-scale bioactivity database for drug discovery.
Loading...
Embargo End Date
ICR Authors
Authors
Gaulton, A
Bellis, LJ
Bento, AP
Chambers, J
Davies, M
Hersey, A
Light, Y
McGlinchey, S
Michalovich, D
Al-Lazikani, B
Overington, JP
Bellis, LJ
Bento, AP
Chambers, J
Davies, M
Hersey, A
Light, Y
McGlinchey, S
Michalovich, D
Al-Lazikani, B
Overington, JP
Document Type
Journal Article
Date
2012-01-01
Date Accepted
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.
Citation
Nucleic acids research, 2012, 40 (Database issue), pp. D1100 - D1107
Source Title
Publisher
OXFORD UNIV PRESS
ISSN
0305-1048
eISSN
1362-4962
Collections
Research Team
Computational Biology and Chemogenomics