3-Cyano-Quinoline Ligands Targeting Integrin-Linked Kinase (ILK)

A dataset describing the identification and validation of 3-cyano-quinoline ligands for Integrin-Linked Kinase (ILK). It includes results from a medicinal chemistry campaign exploring structure-activity relationships using parallel synthesis. The dataset was authored by Francesco Aleksy Greco and uploaded to figshare on 2026-05-26.

Use Cases

• Train QSAR models based on the described structure-activity relationships (SAR).
• Analyze binding affinity patterns based on the reported dissociation constant (K_D) of ~250 nM.
• Design new ILK-targeting compounds based on the identified regions amenable to modification.
• Support PROTAC development efforts based on the foundational ligand data for ILK degradation.

Strengths

• Includes crystallographic studies revealing a type I binding mode.
• Derived from a medicinal chemistry campaign using a parallel synthesis approach.
• Contains data on a ligand (DHP) shown to modulate actin cytoskeletal dynamics.
• Released under a CC-BY-NC-4.0 license, allowing for non-commercial reuse with attribution.

Limitations

• Dataset size is 4.5 KB, indicating a very limited scope of data.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Likely contains results from experimental identification, crystallography, and a medicinal chemistry SAR campaign.

Freshness

Last updated 2026-05-26 04:04:18; freshness should be verified.