Skip to main content

Posts

Showing posts from November, 2016

New ChEMBL database paper out

The latest ChEMBL database paper is now available online:
http://nar.oxfordjournals.org/content/early/2016/11/28/nar.gkw1074.full

This paper describes some of the additions to ChEMBL over the last few releases (ChEMBL_18 to ChEMBL_22) such as drug indications and clinical candidates, patent bioactivity data from BindingDB, drug metabolism information and richer assay annotation. A number of papers from our collaborators will also feature in the 2017 NAR database issue, so watch this space...

ChEMBL_22 Data and Web Services Update

ChEMBL_22_1 data update:

We would like to inform users that an update to ChEMBL_22 has been released. 

The new version, ChEMBL_22_1, corrects an issue with the targets assigned to some BindingDB assays in ChEMBL (src_id = 37). If you are using the BindingDB data from ChEMBL, we recommend you download this update. This update also incorporates the mol file/canonical smiles correction announced previously.
Updates have been made to BindingDB data in the ASSAYS, ACTIVITIES, CHEMBL_ID_LOOKUP, LIGAND_EFF and PREDICTED_BINDING_DOMAINS tables. Corrections have also been made to molfiles and canonical_smiles in the COMPOUND_STRUCTURES table. No changes have been made to other data sets or to other drug/compound/target tables in ChEMBL_22.
The new release files can be downloaded from:  ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_22_1
A new version of the ChEMBL RDF is also available from: ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBL-RDF/22.1

Improvements to Web Services: