Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432

Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate

(2022) Philip G. Humphreys et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site

(2022) Zhiqing Liu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Achieving clinical success with BET inhibitors as anti-cancer agents

(2021) Tatiana Shorstova et al.   BRITISH JOURNAL OF CANCER

Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies

(2021) Paul D. Leeson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression

(2021) Katherine L. Jones et al.   JOURNAL OF MEDICINAL CHEMISTRY

Progress in the development of domain selective inhibitors of the bromo and extra terminal domain family (BET) proteins

(2021) Yuantao Fu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

From Hit Seeking to Magic Bullets: The Successful Union of Epigenetic and Fragment Based Drug Discovery (EPIDD + FBDD)

(2021) Miguel M. Vaidergorn et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening

(2020) Christopher R. Wellaway et al.   JOURNAL OF MEDICINAL CHEMISTRY

Dose Predictions for Drug Design

(2020) Tristan S. Maurer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of N-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain

(2020) George S. Sheppard et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Optimisation of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor

(2020) Jonathan Thomas Seal et al.   JOURNAL OF MEDICINAL CHEMISTRY

Intramolecular hydrogen bonding: An opportunity for improved design in medicinal chemistry

(2019) Giulia Caron et al.   MEDICINAL RESEARCH REVIEWS

Concepts and Core Principles of Fragment-Based Drug Design

(2019) Philine Kirsch et al.   MOLECULES

Bromodomain biology and drug discovery

(2019) Nilesh Zaware et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Mapping the Efficiency and Physicochemical Trajectories of Successful Optimizations

(2018) Robert J. Young et al.   JOURNAL OF MEDICINAL CHEMISTRY

Lipophilic Efficiency as an Important Metric in Drug Design

(2018) Ted W. Johnson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors

(2017) Le Wang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Bromodomain Histone Readers and Cancer

(2017) Abhinav K Jain et al.   JOURNAL OF MOLECULAR BIOLOGY

Quality guidelines for oral drug candidates: dose, solubility and lipophilicity

(2016) Martin K. Bayliss et al.   DRUG DISCOVERY TODAY

Bromodomain and extra-terminal (BET) family proteins: New therapeutic targets in major diseases

(2016) Balasundaram Padmanabhan et al.   JOURNAL OF BIOSCIENCES

Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153)

(2016) Robert H. Bradbury et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials

(2016) Brian K. Albrecht et al.   JOURNAL OF MEDICINAL CHEMISTRY

Potent and selective bivalent inhibitors of BET bromodomains

(2016) Michael J Waring et al.   Nature Chemical Biology

Bromodomain and Extra Terminal (BET) Inhibitor Suppresses Macrophage-Driven Steroid-Resistant Exacerbations of Airway Hyper-Responsiveness and Inflammation

(2016) Thi Hiep Nguyen et al.   PLoS One

The bromodomain protein inhibitor I-BET151 suppresses expression of inflammatory genes and matrix degrading enzymes in rheumatoid arthritis synovial fibroblasts

(2014) Kerstin Klein et al.   ANNALS OF THE RHEUMATIC DISEASES

The Discovery of I-BET726 (GSK1324726A), a Potent Tetrahydroquinoline ApoA1 Up-Regulator and Selective BET Bromodomain Inhibitor

(2014) Romain Gosmini et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Mechanisms behind the Therapeutic Activity of BET Bromodomain Inhibition

(2014) Junwei Shi et al.   MOLECULAR CELL

Targeting bromodomains: epigenetic readers of lysine acetylation

(2014) Panagis Filippakopoulos et al.   NATURE REVIEWS DRUG DISCOVERY

Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters

(2013) Michael D. Shultz   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

BET bromodomain inhibitors: a patent review

(2013) Jean-Marc Garnier et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Lipophilic efficiency: the most important efficiency metric in medicinal chemistry

(2013) Kevin D Freeman-Cook et al.   Future Medicinal Chemistry

Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains

(2013) Olivier Mirguet et al.   JOURNAL OF MEDICINAL CHEMISTRY

From ApoA1 upregulation to BET family bromodomain inhibition: Discovery of I-BET151

(2012) Olivier Mirguet et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family

(2012) Panagis Filippakopoulos et al.   CELL

Multi-Parameter Optimization: Identifying High Quality Compounds with a Balance of Properties

(2012) Matthew D. Segall   CURRENT PHARMACEUTICAL DESIGN

Methyl Effects on Protein–Ligand Binding

(2012) Cheryl S. Leung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity

(2011) Robert J. Young et al.   DRUG DISCOVERY TODAY

Bromodomains as therapeutic targets

(2011) Susanne Muller et al.   EXPERT REVIEWS IN MOLECULAR MEDICINE

Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery

(2011) Chun-wa Chung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Optimization of Pharmacokinetics through Manipulation of Physicochemical Properties in a Series of HCV Inhibitors

(2011) Scott E. Lazerwith et al.   ACS Medicinal Chemistry Letters

Strategic Use of Plasma and Microsome Binding To Exploit in Vitro Clearance in Early Drug Discovery

(2010) George Chang et al.   ACS Medicinal Chemistry Letters

Prediction of Human Pharmacokinetics From Preclinical Information: Comparative Accuracy of Quantitative Prediction Approaches

(2009) Natilie A. Hosea et al.   JOURNAL OF CLINICAL PHARMACOLOGY

Physiochemical drug properties associated with in vivo toxicological outcomes

(2008) Jason D. Hughes et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Metabolic Soft Spot Identification and Compound Optimization in Early Discovery Phases Using MetaSite and LC-MS/MS Validation

(2008) Markus Trunzer et al.   JOURNAL OF MEDICINAL CHEMISTRY