Data · dataset · 2014
A Set of 72 Kinase Inhibitors
Listed in Zenodo
A set of 72 known kinase inhibitors was assembled from ChEMBL release 18.
Description
For each inhibitor, MACCS and ECFP4 representations are provided. Both fingerprints were calculated using an in-house implementation based upon OpenEye's OEChem toolkit.
For MACCS, we used SMARTS patterns adapted from RDKit.
Links
Get the data
- Kinase_Inhibitors.dat zenodo.org/api/records/9223/files/Kinase_Inhibitors.dat/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/9223 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.9223 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/9223 ↗
metadata API · from Zenodo
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 9223 | 14 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · Zenodo | connector:zenodo@1.0.0 | /metadata/access_right |
| byte_size | source · Zenodo | connector:zenodo@1.0.0 | |
| created_date | source · Zenodo | connector:zenodo@1.0.0 | |
| description | source · Zenodo | connector:zenodo@1.0.0 | /metadata/description |
| license_text | source · Zenodo | connector:zenodo@1.0.0 | |
| publication_date | source · Zenodo | connector:zenodo@1.0.0 | |
| title | source · Zenodo | connector:zenodo@1.0.0 | /metadata/title |
| updated_date | source · Zenodo | connector:zenodo@1.0.0 |