ChEMBL bioactivity search
Search ChEMBL for compounds with measured activity against a specific target.
Bioactivity search finds compounds with measured binding or functional activity against a specific protein target — you name the target (or its ChEMBL ID) and an activity type, and get back potency values from curated literature. The activity type you pick (IC50, Ki, EC50, or Kd) is what most shapes the result: those values measure different things and are not directly comparable, so choose one and hold it fixed when ranking compounds.
ChEMBL Bioactivity Search
Search for compounds with measured binding or functional activity against a specific protein target.
What you can ask for
| Filter | Default | Limits |
|---|---|---|
| Target | Required | A ChEMBL target ID (e.g., CHEMBL203 for EGFR); if you name the protein instead, Ivy resolves it with a target search first |
| Activity type | IC50 | IC50, EC50, Ki, Kd, or potency |
| Potency cutoff | 1000 nM | Maximum activity value in nM, 0.001-100000 |
| Minimum pChEMBL | None | 4-12 (higher = more potent) |
| Assay type | Any | B (binding), F (functional), A (ADMET), T (toxicity), or P (physicochemical) |
| Number of results | 25 | Up to 100 per search |
Activity Types Explained
| Type | Measures | Use When |
|---|---|---|
| IC50 | Concentration for 50% inhibition | Looking for inhibitors |
| Ki | Inhibitor binding affinity (equilibrium) | Comparing competitive inhibitors |
| EC50 | Concentration for 50% max effect | Looking for agonists or activators |
| Kd | Binding affinity (equilibrium) | Measuring binding regardless of function |
| potency | Composite potency measure | Screening-assay results not expressed as IC50/EC50/Ki/Kd |
This search does not filter or return ChEMBL's per-assay confidence score. Ask for a minimum pChEMBL value to filter by measured potency instead, and check each result's assay_description and assay_type to judge assay reliability by hand.
Predefined Examples
| Target | ChEMBL ID | Activity | Threshold |
|---|---|---|---|
| EGFR | CHEMBL203 | IC50 | <100 nM |
| ABL1 | CHEMBL1862 | IC50 | <50 nM |
Chat Usage
Example Prompts
- "Search ChEMBL for EGFR inhibitors with IC50 below 100 nanomolar"
- "Find compounds targeting ABL1 kinase with Ki < 50 nM and pChEMBL ≥ 7"
- "What compounds in ChEMBL are active against BRAF with IC50 < 10 nM?"
Workflow Chaining
- Feeds into: ADMET-AI, ADMETLab3, DiffDock, Compound Passport
- Accepts from: Target search results (provides ChEMBL target IDs)
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