We are pleased to announce the release of ChEMBL_16. This version of the database was prepared on 7th May 2013 and contains:
1,481,473 compound records
1,295,510 compounds (of which 1,292,344 have mol files)
19 activity data sources
You can download the data from the ChEMBL ftpsite and do not forget to read the ChEMBL_16 Release Notes
Data changes since the last release
ChEMBL_16 includes the Millipore Kinase Screening publication (CHEMBL2218924), which is kinase screening panel data set focused on 158 known kinase inhibitors and the OSDD Malaria Screening dataset (CHEMBL2113921), which is a set of anti-malarial compounds and bioactivity data provided by the OSDD Malaria consortium.
We are would like grow our supplementary bioactivity datasets, so please get in touch if you have any similar data you would like to deposit in the ChEMBL database. Stefan Senger from GSK, has put together the following slides, which provide more details on the pros and pros of depositing supplementary bioactivity data. (Also thanks Derek Lowe over at In The Pipeline for the following blog post).
Interface changes since the last release:
We have made a number changes to the interface which are listed below:
- Document Search - Submit a keyword search against journal articles and datasets loaded into the database
- Browse Targets - We have improved the tree browser on protein classification and organism browser targets page
- Browse Drugs - Now allows searching on USAN stem and ATC code definitions
- Updated FAQ pages - see here
- Target Report Card - Now contains a target relation section, providing links between targets sharing protein components. The target report card also includes links to CREDO and TIMBAL databases
- Compound Report Card - Includes a link to NCI Resolver service, to retrieve additional synonyms for a compound