Download ChEBI chemical entity records as JSON by ChEBI ID.
Download ChEMBL molecule records as JSON and SDF by ChEMBL compound ID.
Download PubChem compound records as JSON, SDF, and SMILES by CID, compound name, or InChIKey.
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.
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 SMILES strings into InChI strings with batch support and downloadable outputs.
Convert SMILES strings into 3D MOL2 files for docking and molecular modeling workflows.
Download ChEBI chemical entity records as JSON by ChEBI ID.
Download ChEMBL molecule records as JSON and SDF by ChEMBL compound ID.
Download PubChem compound records as JSON, SDF, and SMILES by CID, compound name, or InChIKey.
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.
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 SMILES strings into InChI strings with batch support and downloadable outputs.
Convert SMILES strings into 3D MOL2 files for docking and molecular modeling workflows.
Configure inputs to begin
Set options on the left, then click “Fetch downloads” — or start from an example.
50000007
50361334
50127775
BindingDB Download fetches BindingDB ligand and binding metadata by BindingDB monomer ID. It returns the available record file and summarizes ligand, target, affinity, SMILES, PubMed, and DOI metadata when those fields are available.
Use this tool when you need binding records for protein-ligand analysis, assay review, ligand metadata, or reproducible references for bioactivity data.
| Input | Description |
|---|---|
Entry ID | BindingDB monomer identifier. Examples: 50000007, 50361334, 50127775. |
| Setting | Description |
|---|---|
Database | Opens the selected database download tool. |
| File | Format | Use |
|---|---|---|
| JSON | .json | BindingDB record link and associated binding metadata. |
The results panel lists the available BindingDB file link. The Details tab summarizes the database, BindingDB ID, record title, file label, format, source type, filename, and URL.
Filenames follow the pattern:
bindingdb-50000007-json.jsonBindingDB search results can contain richer assay context than a direct monomer lookup. Use /app/databases when you need to discover records from a target, PDB ID, UniProt accession, or SMILES query.
Use a BindingDB monomer ID for direct downloads. If you only know a target or ligand structure, search BindingDB first and then download the selected record.
No. The tool retrieves available BindingDB record metadata. It does not estimate binding affinity.
Yes, when SMILES is present in the record metadata. For structure conversion, use Open Babel or related ligand conversion tools.