pubchem_get_bioactivity
ActiveTool of pubchem-mcp-server
Get a compound's bioactivity profile: which assays tested it, activity outcomes (Active/Inactive/Inconclusive), target identifiers (NCBI Gene ID, UniProt/GenBank accession), and quantitative values (IC50, EC50, Ki, etc.). Filter by outcome and/or a specific molecular target (NCBI Gene ID or protein accession) to focus the profile — e.g. "is this compound active against target T?".
Parameters schema
{
"type": "object",
"$schema": "http://json-schema.org/draft-07/schema#",
"required": [
"cid"
],
"properties": {
"cid": {
"type": "integer",
"maximum": 9007199254740991,
"description": "PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds.",
"exclusiveMinimum": 0
},
"maxResults": {
"type": "number",
"default": 20,
"maximum": 100,
"minimum": 1,
"description": "Max assay results to return (1-100). Well-studied compounds have thousands of records. Default: 20."
},
"targetGeneId": {
"type": "integer",
"maximum": 9007199254740991,
"description": "Filter to assays against this NCBI Gene ID. Obtain Gene IDs from pubchem_search_assays or the targetGeneId field of an unfiltered result here. Combine with outcomeFilter=\"active\" to answer \"is this compound active against target T?\".",
"exclusiveMinimum": 0
},
"outcomeFilter": {
"enum": [
"active",
"inactive",
"all"
],
"type": "string",
"default": "all",
"description": "Filter by activity outcome. \"active\" shows only assays where the compound showed activity — most useful for understanding biological profile. Default: \"all\"."
},
"targetAccession": {
"type": "string",
"description": "Filter to assays against this target protein accession (UniProt/GenBank), e.g. \"P35354\". Obtain accessions from pubchem_search_assays or the targetAccession field of an unfiltered result here."
}
}
}Parent server
pubchem-mcp-server
https://github.com/cyanheads/pubchem-mcp-server
3/7 registries