Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: High-throughput computational screening pipeline to identify dual inhibitors of EGFR kinase and BRD4(1).

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques: High Throughput Screening Assay

Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: Evaluation and characterization of the BRD4 docking data fusion model.

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques:

Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: Docking scores versus reported BRD4 pActivities (pIC 50 /pK d /pK i ) and Pearson correlation results of representative BRD4 inhibitors by chemotypes.

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques:

Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: Circles represent purchased compounds tested in the BRD4(1) assay, categorized by their activity against BRD4 and EGFR. Only compounds that were confirmed active against BRD4 were further tested for activity against EGFR; any of the black circles therefore could also be EGFR actives.

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques: Activity Assay

Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: ( A ) Average concentration-response profile of compound 2870 and known BRD4 inhibitor I-BET151 using the BRD4(1) biochemical alpha screen assay (n = 3). Emission data was normalized using DMSO and is reported as % response. Average IC 50 of 2870 was found to be 9.02 μ M against BRD4(1). ( B ) The EGFR kinase radioisotope filter binding assay was performed at a substrate concentration of 10 μ M against 2870 and Staurosporine (n = 3). Average IC 50 of 2870 was found to be 0.044 μ M against EGFR kinase.

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques: Concentration Assay, Filter-binding Assay

Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: Activity from the alphascreen assay against BRD4(1) and closest topological similarity to known BRD4(1) binders is also shown. Five other compounds comprising the same sulfonamide scaffold as 8302 were also confirmed actives but are not displayed.

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques: Activity Assay, Amplified Luminescent Proximity Homogenous Assay

Journal: Scientific Reports

Article Title: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

doi: 10.1038/srep16924

Figure Lengend Snippet: Binding affinity of 2870.

Article Snippet: Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.

Techniques: Binding Assay