Skip to content
Open
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
18 changes: 18 additions & 0 deletions pages/linksets/chembl.md
Original file line number Diff line number Diff line change
Expand Up @@ -5,10 +5,28 @@ Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkins
Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.<br/>
doi: [10.1093/nar/gkw1074](http://doi.org/10.1093/nar/gkw1074)

**The ChEMBL database in 2023.<br/>**
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.<br/>
Nucleic Acids Res. 2024 Jan 5;52(D1):D1180-D1192.<br/>
doi: [10.1093/nar/gkad1004](https://doi.org/10.1093/nar/gkad1004)

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

ChEMBL website: [www.ebi.ac.uk/chembl](https://www.ebi.ac.uk/chembl)<br/>
ChEMBL terms of use: [terms of use](https://www.ebi.ac.uk/about/terms-of-use)

---
### ChEMBL release 25

**Mechanism of Action Linkset**
The database content was retrieved through the [ChEMBL Data Web Services](https://chembl.gitbook.io/chembl-interface-documentation/web-services/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](https://figshare.com/ndownloader/files/61461853) | 2025-06 | ChEMBL 25 (MoA) | Homo sapiens (hsa) | 11,920 | 4,320 | 1,526 | UniProt, NCBI Gene, Ensembl, HGNC |


### ChEMBL release 23

Expand Down