PMC:7073332 / 39863-40613 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7073332","sourcedb":"PMC","sourceid":"7073332","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7073332","text":"Building the drug–target network\nHere, we collected drug–target interaction information from the DrugBank database (v4.3)86, Therapeutic Target Database (TTD)87, PharmGKB database, ChEMBL (v20)88, BindingDB89, and IUPHAR/BPS Guide to PHARMACOLOGY90. The chemical structure of each drug with SMILES format was extracted from DrugBank86. Here, drug–target interactions meeting the following three criteria were used: (i) binding affinities, including Ki, Kd, IC50, or EC50 each ≤10 μM; (ii) the target was marked as “reviewed” in the UniProt database91; and (iii) the human target was represented by a unique UniProt accession number. The details for building the experimentally validated drug–target network are provided in our recent 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