Journal of Medicinal Chemistry

Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC (Mon, 20 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500850y
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Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin (Mon, 20 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500997m
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Identification and Development of Biphenyl Substituted Iminosugars as Improved Dual Glucosylceramide Synthase/Neutral Glucosylceramidase Inhibitors (Fri, 17 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501181z
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Structural Insights on Carbonic Anhydrase Inhibitory Action, Isoform Selectivity, and Potency of Sulfonamides and Coumarins Incorporating Arylsulfonylureido Groups (Fri, 17 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501314c
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Novel DNA Gyrase Inhibiting Spiropyrimidinetriones with a Benzisoxazole Scaffold: SAR and in Vivo Characterization (Fri, 17 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501174m
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Synthesis and Biological Evaluation of a Novel Series of Heterobivalent Muscarinic Ligands Based on Xanomeline and 1-[3-(4-Butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1) (Thu, 16 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501173q
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Converting Potent Indeno[1,2-b]indole Inhibitors of Protein Kinase CK2 into Selective Inhibitors of the Breast Cancer Resistance Protein ABCG2 (Thu, 16 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500943z
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Substitution of the Lys Linker with the β-Ala Linker Dramatically Decreased the Renal Uptake of 99mTc-Labeled Arg-X-Asp-Conjugated and X-Ala-Asp-Conjugated α-Melanocyte Stimulating Hormone Peptides (Thu, 16 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501114v
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CB2-Selective Cannabinoid Receptor Ligands: Synthesis, Pharmacological Evaluation, and Molecular Modeling Investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides (Wed, 15 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500807e
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DNA Repair and Redox Activities and Inhibitors of Apurinic/Apyrimidinic Endonuclease 1/Redox Effector Factor 1 (APE1/Ref-1): A Comparative Analysis and Their Scope and Limitations toward Anticancer Drug Development (Wed, 15 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500865u
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Discovery of Novel, Highly Potent, and Selective Quinazoline-2-carboxamide-Based Matrix Metalloproteinase (MMP)-13 Inhibitors without a Zinc Binding Group Using a Structure-Based Design Approach (Wed, 15 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500981k
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Synthesis and Preclinical Evaluation of 2-(2-Furanyl)-7-[2-[4-[4-(2-[11C]methoxyethoxy)phenyl]-1-piperazinyl]ethyl]7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine-5-amine ([11C]Preladenant) as a PET Tracer for the Imaging of Cerebral Adenosine A2A Receptors (Wed, 15 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501065t
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Design, Synthesis, and Antibacterial Properties of Dual-Ligand Inhibitors of Acetyl-CoA Carboxylase (Wed, 15 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501082n
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Molecular Simulations with Solvent Competition Quantify Water Displaceability and Provide Accurate Interaction Maps of Protein Binding Sites (Tue, 14 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5010418
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How a β-d-Glucoside Side Chain Enhances Binding Affinity to Thrombin of Inhibitors Bearing 2-Chlorothiophene as P1 Moiety: Crystallography, Fragment Deconstruction Study, and Evaluation of Antithrombotic Properties (Tue, 14 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5010754
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Design, Synthesis, Structure–Function Relationship, Bioconversion, and Pharmacokinetic Evaluation of Ertapenem Prodrugs (Tue, 14 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500879a
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Diversity-Oriented Synthesis-Facilitated Medicinal Chemistry: Toward the Development of Novel Antimalarial Agents (Mon, 13 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500994n
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Potent Nonimmunosuppressive Cyclophilin Inhibitors With Improved Pharmaceutical Properties and Decreased Transporter Inhibition (Mon, 13 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500862r
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Multitarget Drug Design Strategy: Quinone–Tacrine Hybrids Designed To Block Amyloid-β Aggregation and To Exert Anticholinesterase and Antioxidant Effects (Fri, 10 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5010804
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Targeting Matrix Metalloproteinases: Exploring the Dynamics of the S1′ Pocket in the Design of Selective, Small Molecule Inhibitors (Fri, 10 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500505f
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C-Glycoside Mimetics Inhibit Glioma Stem Cell Proliferation, Migration, and Invasion (Fri, 10 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500522y
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Oligo-β-(1 → 3)-glucans: Impact of Thio-Bridges on Immunostimulating Activities and the Development of Cancer Stem Cells (Fri, 10 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500506b
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Optimized Protein Kinase Cθ (PKCθ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis (Thu, 09 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5013006
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Discovery and Characterization of MAPK-activated Protein Kinase-2 Prevention of Activation Inhibitors (Thu, 09 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501038s
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Exploitation of Cholane Scaffold for the Discovery of Potent and Selective Farnesoid X Receptor (FXR) and G-Protein Coupled Bile Acid Receptor 1 (GP-BAR1) Ligands (Thu, 09 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501273r
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Potent Heterocyclic Ligands for Human Complement C3a Receptor (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500956p
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Modulation of cAMP-Specific PDE without Emetogenic Activity: New Sulfide-Like PDE7 Inhibitors (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501090m
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Discovery of 2-[5-(4-Fluorophenylcarbamoyl)pyridin-2-ylsulfanylmethyl]phenylboronic Acid (SX-517): Noncompetitive Boronic Acid Antagonist of CXCR1 and CXCR2 (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500827t
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ST7612AA1, a Thioacetate-ω(γ-lactam carboxamide) Derivative Selected from a Novel Generation of Oral HDAC Inhibitors (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5008209
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Importance of Purity Evaluation and the Potential of Quantitative 1H NMR as a Purity Assay (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500734a
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Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500497v
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Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5012935
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Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501168q
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Discovery of N-Substituted Oseltamivir Derivatives as Potent and Selective Inhibitors of H5N1 Influenza Neuraminidase (Wed, 08 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500892k
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Synthesis, Structure–Activity Relationship Studies, and Antibacterial Evaluation of 4-Chromanones and Chalcones, as Well as Olympicin A and Derivatives (Tue, 07 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500853v
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Development of (E)-2-((1,4-Dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel 2-Amidinophenylbenzamides as Potent Inhibitors of Venezuelan Equine Encephalitis Virus (Tue, 07 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501203v
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Analysis of the Structural Diversity, Substitution Patterns, and Frequency of Nitrogen Heterocycles among U.S. FDA Approved Pharmaceuticals (Tue, 07 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501100b
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Development of Novel Neurokinin 3 Receptor (NK3R) Selective Agonists with Resistance to Proteolytic Degradation (Tue, 07 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500771w
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Synthesis and Influenza Virus Inhibitory Activities of Carbosilane Dendrimers Peripherally Functionalized with Hemagglutinin-Binding Peptide (Mon, 06 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5007676
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Repurposing the Antihistamine Terfenadine for Antimicrobial Activity against Staphylococcus aureus (Mon, 06 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5010682
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Structure-Guided Design and Optimization of Small Molecules Targeting the Protein–Protein Interaction between the von Hippel–Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities (Mon, 06 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5011258
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Beyond C, H, O, and N! Analysis of the Elemental Composition of U.S. FDA Approved Drug Architectures (Mon, 06 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501105n
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Synthesis and Biological Activity of 25-Hydroxy-2-methylene-vitamin D3 Analogues Monohydroxylated in the A-ring (Thu, 02 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500750b
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Discovery of Potent and Selective Sirtuin 2 (SIRT2) Inhibitors Using a Fragment-Based Approach (Thu, 02 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500777s
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Discovery of a Potent and Selective EGFR Inhibitor (AZD9291) of Both Sensitizing and T790M Resistance Mutations That Spares the Wild Type Form of the Receptor (Wed, 01 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500973a
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Selenorhodamine Photosensitizers for Photodynamic Therapy of P-Glycoprotein-Expressing Cancer Cells (Wed, 01 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501259v
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Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases: Synthesis, Structure–Activity Relationship, and Selective Antitumor Activity (Wed, 01 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500660f
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Structure-Based Design of Potent and Selective Leishmania N-Myristoyltransferase Inhibitors (Wed, 01 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5011397
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Tumor Xenograft Uptake of a Pyrrole–Imidazole (Py-Im) Polyamide Varies as a Function of Cell Line Grafted (Wed, 01 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500964c
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Cyclic Adenosine 5′-Diphosphate Ribose Analogs without a “Southern” Ribose Inhibit ADP-ribosyl Cyclase–Hydrolase CD38 (Wed, 01 Oct 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501037u
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Development of Inhibitors of the 2C-Methyl-d-erythritol 4-Phosphate (MEP) Pathway Enzymes as Potential Anti-Infective Agents (Thu, 25 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5010978
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Peptides Containing β-Amino Acid Patterns: Challenges and Successes in Medicinal Chemistry (Wed, 24 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5010896
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Acidic and Basic Drugs in Medicinal Chemistry: A Perspective (Thu, 18 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501000a
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Exploring the Scaffold Universe of Kinase Inhibitors (Tue, 16 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm501237k
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Design, Synthesis, and Evaluation of Novel Imidazo[1,2-a][1,3,5]triazines and Their Derivatives as Focal Adhesion Kinase Inhibitors with Antitumor Activity (Thu, 11 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500784e
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Positron Emission Tomography in CNS Drug Discovery and Drug Monitoring (Wed, 10 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5001858
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Natural Products in Medicine: Transformational Outcome of Synthetic Chemistry (Wed, 10 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500941m
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Desferrithiocin: A Search for Clinically Effective Iron Chelators (Wed, 10 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500828f
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“New Drug” Designations for New Therapeutic Entities: New Active Substance, New Chemical Entity, New Biological Entity, New Molecular Entity (Thu, 04 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm402001w
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Medicinal Chemistry of Catechol O-Methyltransferase (COMT) Inhibitors and Their Therapeutic Utility (Tue, 02 Sep 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500572b
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Progress in the Discovery and Development of Heat Shock Protein 90 (Hsp90) Inhibitors (Fri, 29 Aug 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500823a
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Small Molecule Adenosine 5′-Monophosphate Activated Protein Kinase (AMPK) Modulators and Human Diseases (Thu, 28 Aug 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm401994c
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Rational Use of Plasma Protein and Tissue Binding Data in Drug Design (Wed, 06 Aug 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5007935
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Small Molecule Ghrelin Receptor Inverse Agonists and Antagonists (Wed, 06 Aug 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5003183
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Comprehensive Analysis of Three-Dimensional Activity Cliffs Formed by Kinase Inhibitors with Different Binding Modes and Cliff Mapping of Structural Analogues (Thu, 31 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5009264
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Discovery of Type II Inhibitors of TGFβ-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2) (Wed, 30 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500480k
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Current Compound Coverage of the Kinome (Wed, 30 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5008159
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Optimization of Potent DFG-in Inhibitors of Platelet Derived Growth Factor Receptorβ (PDGF-Rβ) Guided by Water Thermodynamics (Mon, 21 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500373x
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Development of First Lead Structures for Phosphoinositide 3-Kinase-C2γ Inhibitors (Mon, 14 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5006034
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Toward Fluorescent Probes for G-Protein-Coupled Receptors (GPCRs) (Thu, 10 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm401823z
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Targeting the Androgen Receptor with Steroid Conjugates (Tue, 08 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500101h
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Discovery of Selective and Orally Bioavailable Protein Kinase Cθ (PKCθ) Inhibitors from a Fragment Hit (Mon, 07 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500669m
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Recent Developments in Novel Antidepressants Targeting α4β2-Nicotinic Acetylcholine Receptors (Wed, 02 Jul 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm401937a
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The Discovery of Polo-Like Kinase 4 Inhibitors: Identification of (1R,2S)-2-(3-((E)-4-(((cis)-2,6-Dimethylmorpholino)methyl)styryl)-1H-indazol-6-yl)-5′-methoxyspiro[cyclopropane-1,3′-indolin]-2′-one (CFI-400945) as a Potent, Orally Active Antitumor Agent (Tue, 24 Jun 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5005336
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Discovery of Novel 2,4-Diarylaminopyrimidine Analogues (DAAPalogues) Showing Potent Inhibitory Activities against Both Wild-type and Mutant ALK Kinases (Thu, 08 May 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm5005144
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Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase γ (Fri, 02 May 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500362j
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Structure-Based Drug Design of RN486, a Potent and Selective Bruton’s Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis (Wed, 16 Apr 2014)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/jm500305p
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