{
  "schemaVersion": 1,
  "slug": "chembl",
  "name": "chembl",
  "description": "ChEMBL bioactivity data from its open REST API or bulk dump — map a UniProt to the right target, pull IC50/Ki/Kd with pChEMBL, filter assay type, confidence, validity flags and duplicates, and build a per-compound SAR table.",
  "category": "data",
  "version": "1.0.0",
  "author": "Heureka Labs",
  "license": "CC-BY-4.0",
  "tags": [
    "public-data",
    "drug-discovery",
    "cheminformatics",
    "binding-affinity"
  ],
  "covers": [
    "chembl",
    "bioactivity",
    "structure-activity relationship",
    "sar",
    "medicinal chemistry",
    "ic50",
    "ki",
    "kd",
    "ec50",
    "pchembl",
    "potency",
    "kinase",
    "small molecule",
    "compound",
    "ligand",
    "target",
    "uniprot",
    "assay",
    "binding assay",
    "selectivity",
    "lead optimization",
    "qsar",
    "training data",
    "salt form",
    "parent compound",
    "sqlite",
    "postgresql",
    "embl-ebi",
    "egfr",
    "abl1"
  ],
  "papers": [
    "PMID:37933841",
    "PMID:25883136",
    "PMID:40065463",
    "PMID:40971497",
    "doi:10.6019/CHEMBL.database.37"
  ],
  "access": [
    "open"
  ],
  "updatedAt": "2026-10-22T20:41:35-04:00",
  "source": {
    "repo": "heurekalabsco/heurekaskills",
    "commit": "53ea1d69f1f284ffddb7a336a4e2fa3123d43c08",
    "path": "skills/chembl"
  },
  "checksum": "sha256:e70053bc8d35bea89a2143e0de4141f925a156717470c462bdc0fa705c72a874",
  "signals": null,
  "files": [
    {
      "path": "SKILL.md",
      "url": "https://heurekaskills.com/chembl/files/SKILL.md",
      "size": 55395,
      "sha256": "913df79ddd635dd469a081d90e216adff755a450d27ea238e026dbaddfef7363"
    }
  ]
}