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Tools · Cheminformatics & Structure

ChEMBL Target Activities

Pull measured IC50, Ki, Kd and EC50 values for your targets from ChEMBL into one table, ready to curate and train on

Open in the appRun via API

Hardware and price

Price per run

What a typical run reserves from your wallet: the catalog's expected runtime on each piece of hardware × your plan's per-second rate. Larger inputs reserve more, and you're charged only for the seconds the job actually runs.

ChEMBL Target Activities: reservation per run, USD
HardwareTypical runtimeBasicStarterProEnterprise
CPUDefault5 min$0.042$0.024$0.015$0.009

In workflows

Chain it with other steps.

Each input and output has a data kind, so the builder only connects steps that fit.

Inputs

None

Outputs

  • TableCSV
  • ArchiveZIP
  • MoleculesSMILES

Ready-made workflows that use it

References

The method behind it.

  1. Barbara Zdrazil, Eloy Felix, Fiona Hunter et al. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Research. doi:10.1093/nar/gkad1004 (opens in a new tab)
  2. Mark Davies, Michał Nowotka, George Papadatos et al. (2015). ChEMBL web services: streamlining access to drug discovery data and utilities. Nucleic Acids Research. doi:10.1093/nar/gkv352 (opens in a new tab)

Run via API

Submit it from your own code.

Use an API key from your account. The estimate uses your plan's rates; submitting reserves that amount from your wallet.

# Estimate the reservation for your plan (payload fields: see the API reference)
curl -X POST https://api.cognichem.com/api/v1/jobs/estimate \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Content-Type: application/json" \
  -d '{"job_type": "chembl-activities", "resource": "cpu", "payload": {}}'

# Submit (retrying with the same Idempotency-Key never submits twice)
curl -X POST https://api.cognichem.com/api/v1/jobs/submit \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Idempotency-Key: $(uuidgen)" \
  -H "Content-Type: application/json" \
  -d '{"job_name": "chembl-activities-1", "job_type": "chembl-activities", "resource": "cpu", "payload": { ... }}'
Payload fields and examples in the docs

Cheminformatics & Structure

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