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, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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:
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The database content was retrieved through the SPARQL endpoint.

The LinkSets were created with the Generic Converter script version 1.1.

Don’t forget to first unzip all LinkSet files that you want to use and put them in the same folder.

Date ChEMBL version LinkSet Species Interactions Compounds Target proteins Supported gene identifiers Comment
2018-01-26 ChEMBL 23 Homo sapiens (hsa) 175,233 104,711 2,100 UniProt, NCBI Gene, Ensembl, HGNC Only compound-target interactions with a pChEMBL > 6 are included. The 200 strongest interactions for each target are included.