BYL-719

ATP-competitive inhibitor of PIK3CA

Structure

SERP Rating

In Cells

(3 ratings)

In Model Organisms

(3 ratings)

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Information

PIK3CA

ATP-competitive inhibitor

10 nM - 1 uM

Probe Availability:

In Vitro Validations

Uniprot ID: P42336

Target Class: Lipid kinase

Target SubClass: Class I

Potency: IC50

Potency Value: 5 nM

Potency Assay: In vitro kinase assay

PDB ID for probe-target interaction (3D structure): 4JPS

Structure-activity relationship: Attaching a (S)-pyrrolidine carboxamide moiety to the 2-amino group through an urea linkage confers selectivity for the alpha isoform.

Target aliases:

Phosphatidylinositol 4,5-bisphosphate 3-kinase cat ...

PMID Reference: 23726034

In Cell Validations

In Vivo Data

Off-Target Selectivity Assesments

Potency end-point : IC50 PIK3CB 1200 nM, PIK3CD 290 nM, PIK3CG 250 nM

Potency assay (off target): In vitro kinase assay. BYL-719 was >50-fold selective of PIK3CA over 442 kinases in vitro (Ambit). IC50 > 9 for VPS34, MTOR, DNA-PK, and ATR.

Probe Selectivity in Vitro:

IC50 for CYP450A > 10 uM

Potency in cells, off target : IC50 PI3KCB 2200 nM, PI3KCD 1200 nM

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SERP ratings and comments

SERP Ratings

In Cell Rating

In Model Organisms

(last updated: 10 Jun 2016 )

SERP Ratings

In Cell Rating

In Model Organisms

SERP Comments:

Chemical Neighbourhood for QSAR: 15 molecules similar (>0.80) to BYL-719 with in vitro affinities for PIK3CA were found in public repositories (e.g., ChEMBL).

(last updated: 18 Jun 2016 )

SERP Ratings

In Cell Rating

In Model Organisms

(last updated: 5 Jul 2017 )