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Search ChEMBL in Duaer

In Duaer, search bioactive molecules via ChEMBL with Duaer Data. One successful search uses 1 credit. This page includes the full English call skill.

What you get

ChEMBL in the Duaer data market returns molecule cards (name, formula, max phase, SMILES). One successful search uses 1 credit.

Add the node from the Duaer Data category (ChEMBL), or copy the skill on the data market. Related: Compounds and Ligands.

Search on the canvas

  1. Open the node creator, select Duaer Data, then ChEMBL.
  2. Enter Words (a new node starts with aspirin), or a ChEMBL ID such as CHEMBL25.
  3. Limit defaults to 10, max 20. Select Execute step.

A successful search uses 1 credit. Production deliverables land in the data pool.

Call the API

  • GET https://api.duaer.com/v1/data/chembl?...
  • Authorization: Bearer <Duaer key>
  • words or id is required.

For keys, refer to Authentication for the Duaer public API. Below is the same English call skill as Copy skill.

Call skill

Same text as Copy skill on the Duaer data market. Keep it English.

---
name: duaer-chembl
description: >-
  Search bioactive molecules through Duaer via ChEMBL.
  One successful search uses 1 Duaer credit.
---

# Duaer ChEMBL

Search bioactive molecules through Duaer with a Duaer key (ChEMBL).

## Call

`GET https://api.duaer.com/v1/data/chembl?words=aspirin&limit=10`

Header: `Authorization: Bearer <Duaer key>`

Use an account key or a model API key.

Provide `words` or `id`.

- `words` — molecule name, such as aspirin.
- `id` — optional. ChEMBL id such as CHEMBL25.
- `limit` — optional. From 1 to 20. Default 10.

## Result

Each item has `source`, `title`, `url`, `summary`, `chemblId`, `name`, `formula`, `weight`, `maxPhase`, `smiles`, and `inchiKey`.
Related compounds: https://skills.duaer.com/compounds.md.
Related ligands: https://skills.duaer.com/ligands.md.

## Credits

One successful search uses 1 credit.
An empty search, a failed search, a compound that matches nothing, or no remaining credits uses 0.
No remaining credits returns 402 and does not search.
A missing key returns 401.

Questions

How do Duaer ChEMBL and Compounds differ?

Compounds use PubChem. ChEMBL emphasizes medicinal chemistry and development max phase.

In this section

Get started

Search compounds in Duaer

In Duaer, search compounds and drugs with Duaer Data. One successful search uses 1 credit; a name that matches nothing uses 0. This page includes the full English call skill.

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Search ligands in Duaer

In Duaer, look up PDBe chemical component (CCD) ligands with Duaer Data. One successful search uses 1 credit. This page includes the full English call skill.

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Search crossrefs in Duaer

In Duaer, look up UniChem compound cross-references by InChIKey with Duaer Data. One successful search uses 1 credit. This page includes the full English call skill.

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Use the Duaer data market

In Duaer, the data market lists data you can fetch, what you get, and the price. The sidebar item sits directly under Data pool. Opening the catalog does not run a search.