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

The ChEMBL database in 2023.
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.
Nucleic Acids Res. 2024 Jan 5;52(D1):D1180-D1192.
doi: 10.1093/nar/gkad1004

ChEMBL web services: streamlining access to drug discovery data and utilities.
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP.
Nucleic Acids Res., 43(W1) W612-W620.
doi: 10.1093/nar/gkv352

ChEMBL website: www.ebi.ac.uk/chembl
ChEMBL terms of use: terms of use

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ChEMBL release 25

Mechanism of Action Linkset The database content was retrieved through the ChEMBL Data Web Services. 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_25_hsa_202506.zip | 2025-06 | ChEMBL 25 (MoA) | Homo sapiens (hsa) | 11,920 | 4,320 | 1,526 | UniProt, NCBI Gene, Ensembl, HGNC |

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