---
title: "Search Compounds"
description: "Search Compounds: a data recipe chaining pubchem, chembl."
tags:
  - recipes
  - data
tools:
  - pubchem
  - chembl
generated: true
source: quickActionConfig:drug-bioactivity
---

> **Generated recipe**

> Seeded from a curated quick-action prompt. The prompt below runs the real
> routing — copy it, change the target, and run.

**Best fit:** search compounds — a data goal.

**Try this prompt** — [open in a guest chat](/chat/new?guest=true&prompt=Search%20ChEMBL%20for%20EGFR%20inhibitors%20with%20IC50%20%3C%20100%20nM%2C%20run%20ADMET-AI%20on%20the%20top%2020%20for%20hERG%20and%20CYP3A4%2C%20then%20dock%20the%205%20best-profiled%20hits%20against%20EGFR%20kinase%20(PDB%3A%201M17)%20with%20DiffDock%20to%20confirm%20binding%20mode%20-%20rank%20by%20a%20composite%20ADMET%20%C3%97%20docking%20confidence%20score%20in%20the%20sandbox%20and%20generate%20a%20prioritized%20shortlist%20with%20a%20scatter%20plot%20of%20ADMET%20score%20vs%20DiffDock%20confidence%20for%20synthesis%20planning%3F).

> Search ChEMBL for EGFR inhibitors with IC50 < 100 nM, run ADMET-AI on the top 20 for hERG and CYP3A4, then dock the 5 best-profiled hits against EGFR kinase (PDB: 1M17) with DiffDock to confirm binding mode - rank by a composite ADMET × docking confidence score in the sandbox and generate a prioritized shortlist with a scatter plot of ADMET score vs DiffDock confidence for synthesis planning?

_A real `drug-bioactivity` quick-action prompt — open it in a guest chat, then swap in your own compound or target._

## The prompt

```text
Search ChEMBL for EGFR inhibitors with IC50 < 100 nM, run ADMET-AI on the top 20 for hERG and CYP3A4, then dock the 5 best-profiled hits against EGFR kinase (PDB: 1M17) with DiffDock to confirm binding mode - rank by a composite ADMET × docking confidence score in the sandbox and generate a prioritized shortlist with a scatter plot of ADMET score vs DiffDock confidence for synthesis planning?
```

## What each tool contributes

- [pubchem](/docs/pubchem) — HTS bioassay results and activity summaries
- [chembl](/docs/chembl) — Curated IC50/Ki/Kd from medicinal chemistry literature

## Why these tools pair

PubChem covers HTS assay data while ChEMBL focuses on curated medicinal chemistry — together they give complete bioactivity picture

## Data flow

Every tool operates on the same input: `compound_name`.

## Read next

- [Which tool?](/docs/which-tool) — match a single goal to a tool.
- [Workflows](/docs/workflows) — every workflow and recipe.
- [How the orchestrator picks tools](/docs/how-orchestration-works) — the same chain from a plain-language goal.