ChEMBL Web Services API

Molecule Tutorials - Herong's Tutorial Examples

∟ChEMBL Database - European Molecular Biology Laboratory

∟ChEMBL Web Services API

Provides a tutorial example on how to use the ChEMBL Web service API to retrieve data and perform utility tasks.

ChEMBL Web services are divided into two groups:

1. ChEMBL Data - Web services to retrieve data from ChEMBL server.

https://www.ebi.ac.uk/chembl/api
  /data/activity/
  /data/assay/
  /data/atc_class/
  /data/binding_site/
  /data/biotherapeutic/
  /data/cell_line/
  /data/chembl_id_lookup/
  /data/compound_record/
  /data/compound_structural_alert/
  /data/document/
  /data/document_similarity/
  /data/drug/
  /data/go_slim/
  /data/image/:ID
  /data/mechanism/
  /data/metabolism/
  /data/molecule/
  /data/organism/
  /data/protein_class/
  /data/similarity/:smiles/:similarity
  /data/source/
  /data/status/
  /data/substructure/:ID
  /data/target/
  /data/target_component/
  /data/target_relation/
  /data/tissue/
  /data/xref_source/

2. Cheminformatic Utils (aka 'ChEMBL Beaker') - Web services to perform utility tasks.

https://www.ebi.ac.uk/chembl/api/utils
  status
  canonicalizeSmiles
  check
  chemblDescriptors
  cipStereoInfo
  clean
  ctab22D
  ctab2inchi
  ctab2inchiKey
  ctab2smarts
  ctab2smiles
  ctab2svg
  descriptors
  exclude
  getParent
  highlightCtabFragmentSvg
  highlightSmilesFragmentSvg
  hydrogenize
  image2ctab
  image2smiles
  inchi2ctab
  inchi2inchiKey
  inchi2svg
  is3D
  mcs
  molExport
  reactionConverter
  reactionExport
  sdf2SimilarityMapSvg
  smarts2ctab
  smiles22D
  smiles2SimilarityMapSvg
  smiles2ctab
  smiles2inchi
  smiles2inchiKey
  smiles2svg
  standardize
  structuralAlerts

There are 3 ways to use ChEMBL Web services:

Call them directly with HTTPS GET/POST protocols.
Call them indirectly on the API portal at https://www.ebi.ac.uk/chembl/api/data/docs and https://www.ebi.ac.uk/chembl/api/data/docs.
Call them indirectly with the Python Web service client.