Identification and Validation of 3‑Cyano-Quinoline Ligands Targeting Integrin-Linked Kinas

First validated ligands for the pseudokinase Integrin-linked Kinase (ILK) are described, with a binding affinity (K_D) of approximately 250 nM. The dataset likely contains results from a medicinal chemistry campaign exploring structure-activity relationships (SAR) using parallel synthesis. This 4.7 KB CSV file was authored by Francesco Aleksy Greco and last updated on May 26, 2026.

Use Cases

• Training predictive models for ligand binding affinity based on 3-cyano-quinoline structural modifications.
• Analyzing structure-activity relationship (SAR) trends from a parallel synthesis campaign.
• Screening for potential ILK inhibitors based on the reported type I binding mode.
• Designing new PROTAC molecules for ILK degradation based on the validated ligand scaffold.

Strengths

• Includes the first reported validated ligands for Integrin-linked Kinase (ILK).
• Reports a specific binding affinity (K_D) of approximately 250 nM for the identified ligands.
• Based on crystallographic studies revealing a type I binding mode.

Limitations

• Dataset is very small at 4.7 KB, indicating limited scope.
• Row count and specific column-level documentation are unknown.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Likely contains experimental results from a medicinal chemistry and crystallography study.

Freshness

Last updated 2026-05-26 04:04:19; freshness should be verified.