ChEMBL API
The ChEMBL database of bioactive molecules as an API — the EBI's manually curated knowledgebase of drug-like compounds and their biological activity, powered by the official ChEMBL data API. Look up a compound by its ChEMBL id for its development phase, chemical structure (SMILES, InChIKey), molecular formula and weight, calculated properties (ALogP, polar surface area, hydrogen-bond donors/acceptors, Rule-of-Five violations, QED drug-likeness) and synonyms; search compounds by name; read a biological target with its organism and UniProt protein components; list a drug's mechanisms of action; list its approved and investigational indications (MeSH and EFO terms with development phase); and pull its measured bioactivities (IC50, Ki, EC50, potency…) with values, units, pChEMBL scores, assays and targets. Ideal for drug-discovery and cheminformatics pipelines, medicinal-chemistry and pharmacology tools, target-identification and SAR research, and life-science apps.
api.oanor.com/chembl-api
