Download PubChem compound records as JSON, SDF, and SMILES by CID, compound name, or InChIKey.
Download BindingDB binding record files by BindingDB monomer ID.
Download ChEBI chemical entity records as JSON by ChEBI ID.
Run Open Babel in the browser to convert chemical and structure files, with coordinate, hydrogen, and pH options where the WASM runtime supports them.
Convert SDF ligand files, including multi-record batches, into SMILES strings.
Convert single SMILES strings or small batches into 3D SDF files with downloadable per-entry files and a combined batch output.
Convert InChI strings into SMILES with batch support and downloadable outputs.
Convert MDL MOL ligand files into canonical SMILES strings for registration, filtering, and downstream analysis.
Convert MOL2 ligand files into SMILES strings for registration, filtering, and downstream analysis.
Convert SMILES strings into InChI strings with batch support and downloadable outputs.
Download PubChem compound records as JSON, SDF, and SMILES by CID, compound name, or InChIKey.
Download BindingDB binding record files by BindingDB monomer ID.
Download ChEBI chemical entity records as JSON by ChEBI ID.
Run Open Babel in the browser to convert chemical and structure files, with coordinate, hydrogen, and pH options where the WASM runtime supports them.
Convert SDF ligand files, including multi-record batches, into SMILES strings.
Convert single SMILES strings or small batches into 3D SDF files with downloadable per-entry files and a combined batch output.
Convert InChI strings into SMILES with batch support and downloadable outputs.
Convert MDL MOL ligand files into canonical SMILES strings for registration, filtering, and downstream analysis.
Convert MOL2 ligand files into SMILES strings for registration, filtering, and downstream analysis.
Convert SMILES strings into InChI strings with batch support and downloadable outputs.
Configure inputs to begin
Set options on the left, then click “Fetch downloads” — or start from an example.
CHEMBL25
CHEMBL941
CHEMBL1201585
ChEMBL Download fetches downloadable molecule files from ChEMBL using a ChEMBL molecule ID. It returns JSON and SDF files in the results panel with metadata such as molecule type, molecular formula, molecular weight, AlogP, and SMILES when available.
Use this tool when you need ChEMBL compound files for cheminformatics, ligand preparation, screening, or reproducible molecule metadata.
| Input | Description |
|---|---|
Entry ID | ChEMBL molecule ID. Examples: CHEMBL25, CHEMBL941, CHEMBL1201585. |
| Setting | Description |
|---|---|
Database | Opens the selected database download tool. |
Output format | Return all files, JSON, or SDF. |
| File | Format | Use |
|---|---|---|
| JSON | .json | ChEMBL molecule record for programmatic use. |
| SDF | .sdf | Structure file for cheminformatics and ligand workflows. |
The results panel lists each downloadable ChEMBL file. The Details tab includes the database, ChEMBL ID, record title, file label, format, source type, filename, and URL.
Filenames follow the pattern:
chembl-CHEMBL25-json.json
chembl-CHEMBL25-sdf.sdfIf you need to convert ChEMBL SDF files into another ligand format, use Open Babel, SDF to PDB, or SDF to SMILES.
This download tool is intended for direct ChEMBL IDs. Use database search first if you only know a compound name.
The ID is the stable database identifier and prevents ambiguity when compound names have synonyms or multiple spelling variants.
Yes, but docking tools often require preparation steps such as protonation, charge assignment, 3D coordinate cleanup, and format conversion.