ChEMBL
Cloud Services CC BY-SA 3.0 (Free)
About
Bioactivity database of drug-like molecules. Search targets and compounds, and retrieve measured bioactivities (IC50, Ki, EC50) for medicinal chemistry and drug discovery.
Key Features
- Target search by name, organism, and protein family
- Compound search by name, SMILES, and ChEMBL ID
- Bioactivity retrieval: IC50, Ki, EC50, potency
- MCP tools: cloud_chembl_search_targets, cloud_chembl_search_compounds, cloud_chembl_get_bioactivities
Skills
MCP skills available for ChEMBL, callable from AI workflows and the Paramus chat:
- Chembl Get Bioactivities — Get bioactivity measurements (IC50, Ki, etc.) for a ChEMBL target id.
- Chembl Search Compounds — Search ChEMBL compounds by name or SMILES.
- Chembl Search Targets — Search ChEMBL drug targets by keyword.
- Get Bioactivities — Get bioactivity measurements (IC50, Ki, etc.) for a ChEMBL target id.
- Search Compounds — Search ChEMBL compounds by name or SMILES. Returns id, SMILES, MW, AlogP, Ro5 violations.
- Search Targets — Search ChEMBL drug targets by keyword. Returns target id, name, type, and organism.
Browse the full ChEMBL skill documentation
Frequently Asked Questions
What is ChEMBL?
ChEMBL is a cloud services application available in the Paramus App Store. Bioactivity database of drug-like molecules. Search targets and compounds, and retrieve measured bioactivities (IC50, Ki, EC50) for medicinal chemistry and drug discovery.
Is ChEMBL free to use?
Yes. ChEMBL is distributed under the CC BY-SA 3.0 (Free) license and is available at no cost through the Paramus App Store.
How do I install ChEMBL?
ChEMBL is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select ChEMBL for one-click deployment.
What are the key features of ChEMBL?
Key features of ChEMBL include: Target search by name, organism, and protein family; Compound search by name, SMILES, and ChEMBL ID; Bioactivity retrieval: IC50, Ki, EC50, potency; MCP tools: cloud_chembl_search_targets, cloud_chembl_search_compounds, cloud_chembl_get_bioactivities.
What type of application is ChEMBL?
ChEMBL belongs to the “Cloud Services” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does ChEMBL run on?
ChEMBL runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can ChEMBL be automated or integrated with AI workflows?
Yes. ChEMBL is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.