Bindingdb Targets By Smiles
bindingdb_targets_by_smilesGiven a compound SMILES, the protein targets BindingDB has measured it (or a structurally similar compound) against, with species and affinity. AUTHORITATIVE for compound-to-target and off-target lookups grounded in published measurements. Use a similarity cutoff below 1.0 to pull analogues as well as the exact structure.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Max rows to return, 1-500 (default 50) | |
| smiles | Yes | Compound SMILES (e.g. "CC(=O)Oc1ccccc1C(=O)O" for aspirin) | |
| similarity | No | Tanimoto similarity cutoff 0-1 (default 0.85). 1.0 means exact structure only. |