Amide scaffolds identified in ChEMBL database

Amide moieties were systematically extracted from the ChEMBL database (version 36), yielding a curated set of 17,769 unique amide scaffolds annotated with substitution sites (growth vectors). This knowledgebase provides structurally resolved information that enables rapid analog design through amide scaffold hopping as well as multi-target optimization strategies. For each amide scaffold, the corresponding parent compounds and their associated ChEMBL identifiers are explicitly linked, facilitating traceability and downstream application.