{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570082",
  "ord_data_issue": null,
  "title": "Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1H-benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors",
  "doi": "10.1021/acs.jmedchem.6b01543",
  "journal": "J Med Chem",
  "publication_date": "2017-03-02",
  "authors": [
    "Tim Cernak",
    "Nathan J. Gesmundo",
    "Kevin D. Dykstra",
    "Yang Yu",
    "Zhicai Wu",
    "Zhicai Shi",
    "Petr Váchal",
    "Donald M. Sperbeck",
    "Shuwen He",
    "Beth Ann Murphy",
    "Lisa M. Sonatore",
    "Steven P. Williams"
  ],
  "article_open_access": {
    "status": "green",
    "license": null
  },
  "dataset_size_estimate": null,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "unknown",
  "smiles_in_source": "unknown",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1021/acs.jmedchem.6b01543",
      "what": "J. Med. Chem. 2017 article and SI (ACS site returned a bot challenge)",
      "license": "ACS, closed access"
    },
    {
      "url": "https://www.bindingdb.org/entry/50000929",
      "what": "BindingDB entry (DGAT1 binding affinities, CC BY 3.0 US). This is the OpenAlex 'green OA' location; it is not reaction data",
      "license": "CC-BY-3.0-US (BindingDB)"
    }
  ],
  "notes": "Microscale (about 1 mg, glass microvial) high-throughput experimentation used to solve a difficult SNAr step during discovery of (piperidinyl)pyridinyl-1H-benzimidazole DGAT1 inhibitors, from Cernak et al., J. Med. Chem. 2017 (doi:10.1021/acs.jmedchem.6b01543). The screening data is expected in the article figures and ACS Supporting Information; its format (numeric tables vs heat maps) has not been confirmed, and the number of reactions is not recorded. The 'green' open-access copy listed by OpenAlex is a BindingDB affinity record, not a copy of the paper or its reaction data. Check the SI before starting. The ORD Dataset must cite the paper DOI.",
  "verification_caveats": "Data format and size unverified. HTE results from this era are often shown as LC-area heat maps, which may give only relative or qualitative outcomes. Library-synthesis products may lack reported yields."
}