3.4 MB of tabular data in XLSX format containing structures, Ki, and pKi values for CrtM inhibitors. The dataset was authored by Juliana Amorim and last updated on April 29, 2026, under a CC-BY-4.0 license.
Use Cases
- Train quantitative structure-activity relationship (QSAR) models based on molecular structures and Ki values.
- Benchmark molecular docking or binding affinity prediction algorithms based on the provided pKi values.
- Identify structural features correlated with high-affinity CrtM inhibition based on the provided compound structures.
Strengths
- Data is sourced from BindingDB, a public database of measured protein-ligand binding affinities.
- The dataset is provided in a standard, machine-readable XLSX format.
- It is licensed under the permissive CC-BY-4.0 license for reuse.
Limitations
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count is unknown, which may limit suitability assessment for large-scale modeling.
Provenance
- Source
- BindingDB
- Collection Method
- Extracted from the BindingDB database.
- Time Range
- null
- Freshness
- Last updated 2026-04-29 17:42:11; freshness should be verified.
- Geography
- null