chembl-bioactivity-queries

Look up bioactive molecules, biological targets, approved-drug facts, and measured activities such as IC50, Ki, and EC50 in the ChEMBL database through its Python client, including similarity and substructure searching and physicochemical property filtering for medicinal-chemistry and SAR work. Use when the user wants compound or target data pulled from ChEMBL, asks for ligands or inhibitors of a named target, needs mechanism-of-action or indication facts for a drug, or wants a compound-activity dataset assembled for analysis. Not for molecular docking, molecular dynamics, synthesis route planning, or searching proprietary in-house databases.

Version

v1.0.0

Size

14 KB

Updated

2026-10-10

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