Publications by authors named "Scott Bembenek"

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A Novel Small Molecule Allosteric Inhibitor of IL-17A from a DNA-Encoded Library.
Marcos E Milla, Jonathan M Blevitt, Steven D Goldberg, Anthony A Armstrong, Katherine Y Blain, Scott D Bembenek

ACS Med Chem Lett· November 2025

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Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
Mark S Tichenor, John J M Wiener, Navin L Rao, Genesis M Bacani, Jianmei Wei, Scott D Bembenek

J Med Chem· November 2022

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Discovery of a Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase with Oral Anti-Inflammatory Activity.
Mark S Tichenor, John J M Wiener, Navin L Rao, Charlotte Pooley Deckhut, J Kent Barbay, Scott D Bembenek

ACS Med Chem Lett· May 2021

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D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Conor D Parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao, Scott D Bembenek

J Comput Aided Mol Des· February 2020

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Discovery, Optimization, and Evaluation of Potent and Highly Selective PI3Kγ-PI3Kδ Dual Inhibitors.
Hong Jia, Guangxiu Dai, Weiguo Su, Kun Xiao, Jianyang Weng, Scott D Bembenek

J Med Chem· May 2019

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Beyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2.
Scott D Bembenek, Hariharan Venkatesan, Hillary M Peltier, Mark D Rosen, Terrance D Barrett

ACS Omega· April 2019

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D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.
Zied Gaieb, Conor D Parks, Michael Chiu, Huanwang Yang, Chenghua Shao, Scott D Bembenek

J Comput Aided Mol Des· January 2019

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Determination of a Focused Mini Kinase Panel for Early Identification of Selective Kinase Inhibitors.
Scott D Bembenek, Gavin Hirst, Taraneh Mirzadegan

J Chem Inf Model· July 2018

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A Prospective Virtual Screening Study: Enriching Hit Rates and Designing Focus Libraries To Find Inhibitors of PI3Kδ and PI3Kγ.
Kelly L Damm-Ganamet, Scott D Bembenek, Jennifer W Venable, Glenda G Castro, Lieve Mangelschots

J Med Chem· May 2016

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Extending kinome coverage by analysis of kinase inhibitor broad profiling data.
Edgar Jacoby, Gary Tresadern, Scott Bembenek, Berthold Wroblowski, Christophe Buyck

Drug Discov Today· June 2015

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Pharmacological characterization of 1-(5-chloro-6-(trifluoromethoxy)-1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid (JNJ-42041935), a potent and selective hypoxia-inducible factor prolyl hydroxylase inhibitor.
Terrance D Barrett, Heather L Palomino, Theresa I Brondstetter, Kimon C Kanelakis, Xiaodong Wu, Scott D Bembenek

Mol Pharmacol· June 2011

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Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
Mark D Rosen, Hariharan Venkatesan, Hillary M Peltier, Scott D Bembenek, Kimon C Kanelakis

ACS Med Chem Lett· December 2010

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Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors.
Michael K Ameriks, Scott D Bembenek, Matthew T Burdett, Ingrid C Choong, James P Edwards

Bioorg Med Chem Lett· July 2010

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Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.
Danielle K Wiener, Alice Lee-Dutra, Scott Bembenek, Steven Nguyen, Robin L Thurmond

Bioorg Med Chem Lett· April 2010

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Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Michael K Ameriks, Frank U Axe, Scott D Bembenek, James P Edwards, Yin Gu

Bioorg Med Chem Lett· November 2009

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Ligand efficiency and fragment-based drug discovery.
Scott D Bembenek, Brett A Tounge, Charles H Reynolds

Drug Discov Today· March 2009

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Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity.
Cheryl A Grice, Kevin L Tays, Brad M Savall, Jianmei Wei, Christopher R Butler, Scott D Bembenek

J Med Chem· July 2008

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Dual binding site inhibitors of B-RAF kinase.
Ronald L Wolin, Scott D Bembenek, Jianmei Wei, Shelby Crawford, Katherine Lundeen

Bioorg Med Chem Lett· May 2008

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Ligand binding efficiency: trends, physical basis, and implications.
Charles H Reynolds, Brett A Tounge, Scott D Bembenek

J Med Chem· April 2008

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Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling.
Scott D Bembenek, John M Keith, Michael A Letavic, Richard Apodaca, Ann J Barbier

Bioorg Med Chem· March 2008

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A novel B-RAF inhibitor blocks interleukin-8 (IL-8) synthesis in human melanoma xenografts, revealing IL-8 as a potential pharmacodynamic biomarker.
Shelby Crawford, Daniel Belajic, Jianmei Wei, Jason P Riley, Paul J Dunford, Scott Bembenek

Mol Cancer Ther· March 2008

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The role of molecular size in ligand efficiency.
Charles H Reynolds, Scott D Bembenek, Brett A Tounge

Bioorg Med Chem Lett· August 2007

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Three-dimensional models of histamine H3 receptor antagonist complexes and their pharmacophore.
Frank U Axe, Scott D Bembenek, Sándor Szalma

J Mol Graph Model· May 2006

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Calculation of the surface tension of oxygen using molecular-dynamics simulations.
Scott D Bembenek

J Chem Phys· January 2006

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A Web-based chemoinformatics system for drug discovery.
Scott D Bembenek, Brett A Tounge, Steven J Coats, Charles H Reynolds

Methods Mol Biol· July 2004

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