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

A dataset from figshare describes 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 (SAR) using parallel synthesis. The dataset was authored by Francesco Aleksy Greco and last updated on 2026-05-26.

Use Cases

• Analyze structure-activity relationships (SAR) based on the described medicinal chemistry campaign.
• Identify binding modes based on the crystallographic studies revealing a type I binding mode.
• Design new PROTAC molecules based on the validated ligand scaffold for ILK degradation.
• Optimize ligand potency based on the reported binding affinity (KD = ∼250 nM).

Strengths

• Includes crystallographic data revealing a type I binding mode.
• Reports a specific binding affinity (KD = ∼250 nM) for the identified ligands.
• Describes a medicinal chemistry campaign using a parallel synthesis approach.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Data may reflect the specific experimental bias inherent to the source study.

Provenance

Source

figshare

Collection Method

Likely contains experimental data from a medicinal chemistry and structural biology study.

Freshness

Last updated 2026-05-26 04:04:20; freshness should be verified.