Macrocyclic KRAS Inhibitors: Potency and Cell Line Activity Data

A 3.7 KB CSV file from figshare, authored by Dean P. Phillips and last updated in May 2026. The dataset likely contains data related to the discovery and preclinical validation of high-affinity macrocyclic inhibitors targeting KRAS G12D and G12V mutations. It describes a lead compound with strong binding affinity, inhibition of phospho-ERK in mutant cell lines, and tumor regression in mouse models.

Use Cases

• Analyzing structure-activity relationships based on the described macrocyclization strategy and pocket interactions.
• Modeling compound affinity and potency against specific KRAS mutations like G12D and G12V.
• Correlating in vitro phospho-ERK inhibition data with in vivo tumor regression results from xenograft models.

Strengths

• Data is associated with a specific, described lead compound (compound 12) with reported biological activity.
• The description includes concrete preclinical validation endpoints: affinity, cell line inhibition, and in vivo tumor regression.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 3.7 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely contains experimental results from drug discovery research, as described.

Freshness

Last updated 2026-05-19 23:44:26; freshness should be verified.