ChEMBL API

We are pleased to announce that we have updated the ChEMBL RESTful Web Service API (application programming interface) with some more of the features that you, the ChEMBL users requested. In particular, we have added support for the:

• Retrieval of results in JSON data format
• Searching of compounds by Standard InChiKey
• Searching of targets by UniProt and RefSeq identifiers

Sample urls:

• Retrieve a compound record in JSON format - https://www.ebi.ac.uk/chemblws/compounds/CHEMBL1.json
• Search for a compound based on a given Standard InChiKey - https://www.ebi.ac.uk/chemblws/compounds/stdinchikey/QFFGVLORLPOAEC-SNVBAGLBSA-N
• Search for a target based on a given UniProt accession - https://www.ebi.ac.uk/chemblws/targets/uniprot/Q13936
• Search for a target based on a given RefSeq accession and return it in JSON format - https://www.ebi.ac.uk/chemblws/targets/refseq/NP_001128722.json

In addition to those new features we have added some example Perl and Python scripts to our documentation page. We hope that these scripts will help you in your efforts to interact with the ChEMBL API from those popular programming languages. If you have any queries or problems then please e-mail us on: chembl-help@ebi.ac.uk and we'll be happy to help.

Update: We have built some Pipeline Pilot protocols using these RESTful web services; more to come on this soon....

Kind Regards, ChEMBL team