/chembl/molecules/activities

POST /api/chembl/molecules/activities

Price: 20 credits

Get the measured bioactivities recorded for one ChEMBL molecule

How to use it

An unknown molecule id and a molecule with no recorded measurements both answer with an empty list, so a 200 here is not proof the molecule exists. `pchembl_value` is the comparable -log10 potency and is present only for concentration endpoints, so filtering on it drops rows that carry a perfectly good `standard_value`. Each row already carries the joined target, assay and document fields, so no follow-up fetch is needed to know what was measured against what.

Parameters

• access-token string required

Request body

• timeout integer — Max scrapping execution timeout (in seconds) (default: 300; min: 20; max: 1500)
• standard_type string nullable — Curated measurement type, such as IC50, Ki, EC50, Kd or Potency (examples: "IC50"; minLength: 1)
• assay_type string nullable — Assay class the measurement came from (one of: "B", "F", "A", "T", "P", "U")
• assay_id string nullable — Restrict to one ChEMBL assay (examples: "CHEMBL702885"; minLength: 1)
• document_id string nullable — Restrict to one ChEMBL document (examples: "CHEMBL1134302"; minLength: 1)
• target_organism string nullable — Scientific name of the target organism (examples: "Homo sapiens"; minLength: 1)
• standard_units string nullable — Unit the curated value is expressed in (examples: "nM"; minLength: 1)
• min_pchembl_value number nullable — Lowest pChEMBL value to keep; it exists only for comparable concentration endpoints (examples: 8; min: 0)
• min_standard_value number nullable — Lowest curated value in its standard units (examples: 1; min: 0)
• max_standard_value number nullable — Highest curated value in its standard units (examples: 100; min: 0)
• document_year_min integer nullable — Earliest publication year of the source document (examples: 2010; min: 1900)
• document_year_max integer nullable — Latest publication year of the source document (examples: 2020; min: 1900)
• only_standardised boolean nullable — True keeps only rows whose value was mapped onto a standard type and unit
• sort string nullable — Result ordering (one of: "-pchembl_value", "pchembl_value", "standard_value", "-standard_value", "-document_year", "document_year", "activity_id", "-activity_id")
• count integer required — Max number of results (min: 1; max: 5000)
• molecule string required — ChEMBL molecule identifier, or a ChEMBL page URL containing one (examples: "CHEMBL25"; minLength: 1)
• include_salts_and_mixtures boolean — True also returns measurements recorded against salts and mixtures whose parent is this molecule, False keeps only measurements recorded against the molecule itself (default: true)

Response

• @type string (default: "ChemblActivity")
• id string (default: "")
• molecule_id string (default: "")
• molecule_name string (default: "")
• parent_molecule_id string (default: "")
• smiles string (default: "")
• target_id string (default: "")
• target_name string (default: "")
• target_organism string (default: "")
• target_tax_id string (default: "")
• assay_id string (default: "")
• assay_description string (default: "")
• assay_type string (default: "")
• document_id string (default: "")
• document_journal string (default: "")
• document_year integer nullable
• record_id string (default: "")
• source_id integer nullable
• type string (default: "")
• relation string (default: "")
• value number nullable
• units string (default: "")
• standard_type string (default: "")
• standard_relation string (default: "")
• standard_value number nullable
• standard_upper_value number nullable
• standard_units string (default: "")
• standard_text_value string (default: "")
• text_value string (default: "")
• upper_value number nullable
• uo_units string (default: "")
• qudt_units string (default: "")
• pchembl_value number nullable
• action_type string (default: "")
• activity_comment string (default: "")
• data_validity_comment string (default: "")
• data_validity_description string (default: "")
• modality string (default: "")
• bao_endpoint string (default: "")
• bao_format string (default: "")
• bao_label string (default: "")
• assay_variant_accession string (default: "")
• assay_variant_mutation string (default: "")
• target_ontology_id string (default: "")
• is_standard boolean nullable
• is_potential_duplicate boolean nullable
• ligand_efficiency object nullable
  • @type string (default: "ChemblLigandEfficiency")
  • binding_efficiency_index number nullable
  • ligand_efficiency number nullable
  • lipophilic_efficiency number nullable
  • surface_efficiency_index number nullable
• activity_properties array (default: [])
  • @type string (default: "ChemblActivityProperty")
  • name string (default: "")
  • type string (default: "")
  • relation string (default: "")
  • value string (default: "")
  • units string (default: "")
  • standard_type string (default: "")
  • standard_relation string (default: "")
  • standard_value string (default: "")
  • standard_units string (default: "")
  • standard_text_value string (default: "")
  • text_value string (default: "")
  • comments string (default: "")
  • result_flag integer nullable

Errors

• 422 — The request body did not validate Check the fields against this schema. A URN with the wrong prefix is the most common cause.
• 408 — The request ran past its time limit Raise `timeout` in the request body, up to the maximum this endpoint documents. Lowering `count` or turning off the `with_*` flags also helps, because less work finishes sooner.
• 412 — The entity was not found, or a precondition failed Retrying will not help: either the entity does not exist, or the input points at a different one.
• 429 — Too many requests: a rate limit or a usage window is exhausted When the response carries an X-Retry-After header, wait that many seconds and retry: the same number is in the body as `detail.retry_after`, and the limit clears once that window passes. The message in the body names the limit that was hit.
• 500 — Something broke on our side Retrying will not help. If it keeps happening, send us the X-Request-ID from the response headers.
• 529 — Rate limit reached, or the endpoint is overloaded Wait at least 30 seconds, then retry.

Response headers

• X-Error — Error message text (present only on error)
• X-Request-ID — Unique request identifier
• X-Execution-Time — Execution time in seconds
• X-Result-Count — How many records the body carries. 0 means an empty result, which is a normal answer and not by itself an error. A non-zero count can come back together with X-Error when the failure happened partway through — read this header and X-Error independently.
• X-Total-Available-Results — How many records exist for this query, when the endpoint can say. On a `dry_run` request this is the answer and the body is empty. It saturates: the endpoint's documented maximum means 'at least that many', any smaller number is exact.
• X-Warning — Present when the request body carried keys this endpoint does not document. They were ignored, so any filter you meant to apply through them did not apply. Check the spelling against this schema and retry.
• X-Retry-After — Seconds to wait before retrying. Present only on 429.