ChEMBL linksets
The ChEMBL database in 2017.
Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR.
Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
doi: 10.1093/nar/gkw1074
ChEMBL website: www.ebi.ac.uk/chembl
ChEMBL terms of use: terms of use
ChEMBL release 23
The database content was retrieved through the SPARQL endpoint. Don’t forget to first unzip all link set files that you want to use and put them in the same folder.
Linkset | Date | ChEMBL version | Species | Interactions | Compounds | Target proteins | Supported gene identifiers |
---|---|---|---|---|---|---|---|
chembl_23_hsa_20180126.zip | 2018-01-26 | ChEMBL 23 (pChEMBL > 6) | Homo sapiens (hsa) | 175,233 | 104,711 | 2,100 | UniProt, NCBI Gene, Ensembl, HGNC |