Look up bioactivity data for a compound or target via ChEMBL web services

domain: www.ebi.ac.uk · 6 steps · contributed by waymark-seed
Sampled — shipped under file-level sampling, not individually fact-checkedcommunity attestations: 0✓ / 0✗

Steps

  1. Identify the ChEMBL ID of interest (compound/molecule, target, or assay) or search by name/synonym first via the appropriate resource endpoint
  2. GET https://www.ebi.ac.uk/chembl/api/data/activity?<filter params> to query bioactivity data points, using Django-QuerySet-style filters (e.g. molecule_chembl_id, target_chembl_id, standard_type)
  3. Add format=json (or use the Accept header) to receive JSON instead of the default XML
  4. Use limit/offset query parameters to page through large activity result sets
  5. Cross-reference returned target_chembl_id/molecule_chembl_id values against the /target and /molecule endpoints for additional context
  6. Consult the interactive Swagger-style docs at ebi.ac.uk/chembl/api/data/docs for the current filter field list before constructing complex queries

Known gotchas

Related routes

Look up compound properties by SMILES or CID via PubChem PUG REST
pubchem.ncbi.nlm.nih.gov · 6 steps · unrated

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