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Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.EBI
Bioorg Med Chem Lett 27: 551-556 (2017)
Merck
Design and synthesis of emodin derivatives as novel inhibitors of ATP-citrate lyase.EBI
Eur J Med Chem 126: 920-928 (2017)
Harvard Medical School
Design and synthesis of novel 2-substituted 11-keto-boswellic acid heterocyclic derivatives as anti-prostate cancer agents with Pin1 inhibition ability.EBI
Eur J Med Chem 126: 910-919 (2017)
Shenyang Pharmaceutical University
Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.EBI
J Med Chem 60: 386-402 (2017)
The Scripps Research Institute
Pyrimidine-Based Inhibitors of Dynamin I GTPase Activity: Competitive Inhibition at the Pleckstrin Homology Domain.EBI
J Med Chem 60: 349-361 (2017)
The University of Newcastle
Synthesis of Novel c(AmpRGD)-Sunitinib Dual Conjugates as Molecular Tools Targeting theaEBI
J Med Chem 60: 248-262 (2017)
Universit£
Novel Glycoprotein VI Antagonists as Antithrombotics: Synthesis, Biological Evaluation, and Molecular Modeling Studies on 2,3-Disubstituted Tetrahydropyrido(3,4-b)indoles.EBI
J Med Chem 60: 322-337 (2017)
Academy of Scientific and Innovative Research
Covalent Modifiers: A Chemical Perspective on the Reactivity of?,?-Unsaturated Carbonyls with Thiols via Hetero-Michael Addition Reactions.EBI
J Med Chem 60: 839-885 (2017)
University of Pittsburgh
Spiro Meroterpenoids from Ganoderma applanatum.EBI
J Nat Prod 80: 61-70 (2017)
Chinese Academy of Sciences
Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.EBI
J Med Chem 60: 403-414 (2017)
Universit£
Discovery and Optimization of Two Eis Inhibitor Families as Kanamycin Adjuvants against Drug-ResistantEBI
ACS Med Chem Lett 7: 1219-1221 (2016)
University of Kentucky
Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.EBI
ACS Med Chem Lett 7: 1213-1218 (2016)
University of Dundee
Discovery of Highly Potent Liver X Receptor▀ Agonists.EBI
ACS Med Chem Lett 7: 1207-1212 (2016)
Bristol-Myers Squibb
Gossypol with Hydrophobic Linear Esters Exhibits Enhanced Antitumor Activity as an Inhibitor of Antiapoptotic Proteins.EBI
ACS Med Chem Lett 7: 1185-1190 (2016)
Wuhan University School of Pharmaceutical Sciences
PAR2 Modulators Derived from GB88.EBI
ACS Med Chem Lett 7: 1179-1184 (2016)
The University of Queensland
Fused Heterocyclic Compounds as Potent Indoleamine-2,3-dioxygenase 1 Inhibitors.EBI
ACS Med Chem Lett 7: 1167-1172 (2016)
Indian Institute of Technology
Discovery of Pyrazolopyrimidine Derivatives as Novel Dual Inhibitors of BTK and PI3Kd.EBI
ACS Med Chem Lett 7: 1161-1166 (2016)
TBA
Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.EBI
ACS Med Chem Lett 7: 1156-1160 (2016)
Yale University
Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.EBI
ACS Med Chem Lett 7: 1151-1155 (2016)
Merck
Identification of an Orally Efficacious GPR40/FFAR1 Receptor Agonist.EBI
ACS Med Chem Lett 7: 1134-1138 (2016)
Cadila Healthcare
Discovery of Potent and Selective Leads againstEBI
ACS Med Chem Lett 7: 1124-1129 (2016)
Turing Pharmaceuticals
Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.EBI
ACS Med Chem Lett 7: 1118-1123 (2016)
Astrazeneca
Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.EBI
ACS Med Chem Lett 7: 1112-1117 (2016)
Broad Institute
Discovery and Optimization of a Novel Triazole Series of GPR142 Agonists for the Treatment of Type 2 Diabetes.EBI
ACS Med Chem Lett 7: 1107-1111 (2016)
Merck
Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.EBI
ACS Med Chem Lett 7: 1102-1106 (2016)
Abbvie
Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.EBI
ACS Med Chem Lett 7: 1092-1096 (2016)
University of Michigan
Development of 1EBI
ACS Med Chem Lett 7: 1082-1086 (2016)
Bristol-Myers Squibb
Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors.EBI
ACS Med Chem Lett 7: 1077-1081 (2016)
Bristol-Myers Squibb R & D
Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain.EBI
ACS Med Chem Lett 7: 1073-1076 (2016)
Universitat Jaume I
New Series of BPL Inhibitors To Probe the Ribose-Binding Pocket ofEBI
ACS Med Chem Lett 7: 1068-1072 (2016)
University of Adelaide
Sulfonamides as Selective NaEBI
ACS Med Chem Lett 7: 1062-1067 (2016)
Amgen
Discovery of Novel Bruton's Tyrosine Kinase (BTK) Inhibitors Bearing aEBI
ACS Med Chem Lett 7: 1050-1055 (2016)
Dalian Medical University
Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.EBI
ACS Med Chem Lett 7: 1044-1049 (2016)
University of North Carolina At Chapel Hill
New Peptidomimetic Boronates for Selective Inhibition of the Chymotrypsin-like Activity of the 26S Proteasome.EBI
ACS Med Chem Lett 7: 1039-1043 (2016)
The University of Adelaide
Identification, Synthesis, and Biological Evaluation of the Major Human Metabolite of NLRP3 Inflammasome Inhibitor MCC950.EBI
ACS Med Chem Lett 7: 1034-1038 (2016)
The University of Queensland
Development ofEBI
ACS Med Chem Lett 7: 1028-1033 (2016)
Tokyo Medical and Dental University
Identification of Triptophenolide fromEBI
ACS Med Chem Lett 7: 1024-1027 (2016)
Chinese Academy of Medical Science
Pyridyl Isonicotinamide Inhibitors of RAF Kinase.EBI
ACS Med Chem Lett 7: 1022-1023 (2016)
Dart Neuroscience
Macrocyclic Inhibitors of ERK2 Kinase.EBI
ACS Med Chem Lett 7: 1020-1021 (2016)
Dart Neuroscience
Pyrazole Inhibitors of GluN2B NMDA Receptor Subunit.EBI
ACS Med Chem Lett 7: 1018-1019 (2016)
Dart Neuroscience
Quinazoline Carboxamides as Selective Antagonists of Adenosine 2A Receptor.EBI
ACS Med Chem Lett 7: 1014-1015 (2016)
Dart Neuroscience
Imidazopyridazine Inhibitors of PI3K▀.EBI
ACS Med Chem Lett 7: 1012-1013 (2016)
Dart Neuroscience
Development of spiroguanidine-derived?7 neuronal nicotinic receptor partial agonists.EBI
Bioorg Med Chem Lett 27: 578-581 (2017)
Bristol-Myers Squibb Research and Development
Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.EBI
J Med Chem 60: 415-427 (2017)
Novartis Institutes For Biomedical Research
Triazole Ureas Act as Diacylglycerol Lipase Inhibitors and Prevent Fasting-Induced Refeeding.EBI
J Med Chem 60: 428-440 (2017)
Leiden University
Discovery of a Highly Potent, Selective, and Metabolically Stable Inhibitor of Receptor-Interacting Protein 1 (RIP1) for the Treatment of Systemic Inflammatory Response Syndrome.EBI
J Med Chem 60: 972-986 (2017)
National Institute of Biological Sciences
Natural Product Kuwanon-L Inhibits HIV-1 Replication through Multiple Target Binding.BDB
Chembiochem 18: 374-377 (2017)
University of Siena
Tryptophan-Rich Sensory Protein/Translocator Protein (TSPO) from Cyanobacterium Fremyella diplosiphon Binds a Broad Range of Functionally Relevant Tetrapyrroles.BDB
Biochemistry 56: 73-84 (2017)
Michigan State University
Structure-activity relationships of benzothiazole GPR35 antagonists.EBI
Bioorg Med Chem Lett 27: 612-615 (2017)
University of North Carolina At Greensboro
1-Heteroarylpropan-2-ones as inhibitors of fatty acid amide hydrolase: Studies on structure-activity relationships and metabolic stability.EBI
Bioorg Med Chem 25: 825-837 (2017)
University of M£Nster
Thiazolidinediones and PPAR orchestra as antidiabetic agents: From past to present.EBI
NA
Birla Institute of Technology
Design, synthesis, docking and QSAR study of substituted benzimidazole linked oxadiazole as cytotoxic agents, EGFR and erbB2 receptor inhibitors.EBI
Eur J Med Chem 126: 853-869 (2017)
Hamdard University
Highly Potent and Isoform Selective Dual Site Binding Tankyrase/Wnt Signaling Inhibitors That Increase Cellular Glucose Uptake and Have Antiproliferative Activity.EBI
J Med Chem 60: 814-820 (2017)
University of Bath
Toward Understanding the Structural Basis of Partial Agonism at the Dopamine DEBI
J Med Chem 60: 580-593 (2017)
National Institute On Drug Abuse-Intramural Research Program
Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.EBI
J Med Chem 60: 767-786 (2017)
Pfizer
When Does Chemical Elaboration Induce a Ligand To Change Its Binding Mode?EBI
J Med Chem 60: 128-145 (2017)
Fox Chase Cancer Center
Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.EBI
J Med Chem 60: 722-748 (2017)
University of Strathclyde
Polar Hinges as Functionalized Conformational Constraints in (Bi)cyclic Peptides.BDB
Chembiochem 18: 387-395 (2017)
University of Glasgow
Imidazopyridyl compounds as aldosterone synthase inhibitors.EBI
Bioorg Med Chem Lett 27: 143-146 (2017)
Merck Usa
Disulfide Bond-Containing Ajoene Analogues As Novel Quorum Sensing Inhibitors of Pseudomonas aeruginosa.EBI
J Med Chem 60: 215-227 (2017)
Nanyang Technological University
Improved Potency of Indole-Based NorA Efflux Pump Inhibitors: From Serendipity toward Rational Design and Development.EBI
J Med Chem 60: 517-523 (2017)
University of Perugia
Tri- and Tetrasubstituted Pyridinylimidazoles as Covalent Inhibitors of c-Jun N-Terminal Kinase 3.EBI
J Med Chem 60: 594-607 (2017)
Eberhard Karls Universit£T T£Bingen
An Orally Active Bradykinin BEBI
J Med Chem 60: 504-510 (2017)
Nanyang Technological University
LSD1 Substrate Binding and Gene Expression Are Affected by HDAC1-Mediated Deacetylation.BDB
ACS Chem Biol 12: 254-264 (2017)
Wayne State University
Potent, Selective, Allosteric Inhibition of Human Plasmin by Sulfated Non-Saccharide Glycosaminoglycan Mimetics.EBI
J Med Chem 60: 641-657 (2017)
Virginia Commonwealth University
Discovery of 2H-Chromen-2-one Derivatives as G Protein-Coupled Receptor-35 Agonists.EBI
J Med Chem 60: 362-372 (2017)
Dalian Institute of Chemical Physics
Newly Designed Quinolinol Inhibitors Mitigate the Effects of Botulinum Neurotoxin A in Enzymatic, Cell-Based, and ex Vivo Assays.EBI
J Med Chem 60: 338-348 (2017)
The Scripps Research Institute
Discovery of 4-Methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-((1-nicotinoylpiperidin-4-yl)oxy)benzamide (CHMFL-ABL/KIT-155) as a Novel Highly Potent Type II ABL/KIT Dual Kinase Inhibitor with a Distinct Hinge Binding.EBI
J Med Chem 60: 273-289 (2017)
High Magnetic Field Laboratory
Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach.EBI
J Med Chem 60: 608-626 (2017)
Pharmaceutical
Oxime Ethers of (E)-11-Isonitrosostrychnine as Highly Potent Glycine Receptor Antagonists.EBI
J Nat Prod 79: 2997-3005 (2016)
The German University In Cairo
Synthesis and optimization of novela-phenylglycinamides as selective TRPM8 antagonists.EBI
Bioorg Med Chem 25: 727-742 (2017)
Kissei Pharmaceutical
Bivalent SIRT1 inhibitors.EBI
Bioorg Med Chem Lett 27: 180-186 (2017)
Jiangsu University
Challenges and Opportunities in the Development of Serine Synthetic Pathway Inhibitors for Cancer Therapy.EBI
J Med Chem 60: 1227-1237 (2017)
Universit£
Transformation of the Non-Selective Aminocyclohexanol-Based Hsp90 Inhibitor into a Grp94-Seletive Scaffold.BDB
ACS Chem Biol 12: 244-253 (2017)
The University of Kansas
Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid.BDB
Biochemistry 56: 96-106 (2017)
Washington College
Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting ? Opioid Analgesic with Reduced Abuse Liability.EBI
J Med Chem 59: 11027-11038 (2016)
The University of Kansas
Novel Irreversible Agonists Acting at the AEBI
J Med Chem 59: 11182-11194 (2016)
Monash University
Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship.EBI
J Med Chem 59: 11171-11181 (2016)
Bristol-Myers Squibb
Design, synthesis and pharmacological evaluation of 4-hydroxyphenylglycine and 4-hydroxyphenylglycinol derivatives as GPR88 agonists.EBI
Bioorg Med Chem 25: 805-812 (2017)
Research Triangle Institute
Design and synthesis of phosphoryl-substituted diphenylpyrimidines (Pho-DPPYs) as potent Bruton's tyrosine kinase (BTK) inhibitors: Targeted treatment of B lymphoblastic leukemia cell lines.EBI
Bioorg Med Chem 25: 765-772 (2017)
Dalian Medical University
Synthesis and characterization of novel, conjugated, fluorescent DNJ derivatives fora-glucosidase recognition.EBI
Bioorg Med Chem 25: 773-778 (2017)
Shibaura Institute of Technology
Discovery of biphenyl imidazole derivatives as potent antifungal agents: Design, synthesis, and structure-activity relationship studies.EBI
Bioorg Med Chem 25: 750-758 (2017)
Shenyang Pharmaceutical University
Thymidine esters as substrate analogue inhibitors of angiogenic enzyme thymidine phosphorylase in vitro.BDB
Bioorg Chem 70: 44-56 (2017)
University of Karachi
2,4-Disubstituted quinazolines as amyloid-▀ aggregation inhibitors with dual cholinesterase inhibition and antioxidant properties: Development and structure-activity relationship (SAR) studies.EBI
Eur J Med Chem 126: 823-843 (2017)
University of Waterloo
Novel ferulic amide derivatives with tertiary amine side chain as acetylcholinesterase and butyrylcholinesterase inhibitors: The influence of carbon spacer length, alkylamine and aromatic group.EBI
Eur J Med Chem 126: 810-822 (2017)
Hu'Nan University
Novel dabigatran derivatives with a fluorine atom at the C-2 position of the terminal benzene ring: Design, synthesis and anticoagulant activity evaluation.EBI
Eur J Med Chem 126: 799-809 (2017)
Shanghai Institute of Technology
Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-▀-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 126: 762-775 (2017)
Sichuan University
Reverse Biosynthesis: Generating Combinatorial Pools of Drug Leads from Enzyme-Mediated Fragmentation of Natural Products.BDB
Chembiochem 18: 368-373 (2017)
The University of Sydney
Novel CLK1 inhibitors based on N-aryloxazol-2-amine skeleton - A possible way to dual VEGFR2 TK/CLK ligands.EBI
Eur J Med Chem 126: 754-761 (2017)
Comenius University In Bratislava
MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates.BDB
Cell Chem Biol 23: 1458-1467 (2016)
University of Connecticut
Coumarins and other fused bicyclic heterocycles with selective tumor-associated carbonic anhydrase isoforms inhibitory activity.EBI
Bioorg Med Chem 25: 677-683 (2017)
Universit£
Influence of chain length on the activity of tripeptidomimetic antagonists for CXC chemokine receptor 4 (CXCR4).EBI
Bioorg Med Chem 25: 646-657 (2017)
University of Bergen
Challenges in the development of an MEBI
Bioorg Med Chem Lett 27: 171-175 (2017)
Vanderbilt University Medical Center
Physiological Mg(2+) Conditions Significantly Alter the Inhibition of HIV-1 and HIV-2 Reverse Transcriptases by Nucleoside and Non-Nucleoside Inhibitors in Vitro.BDB
Biochemistry 56: 33-46 (2017)
University of Maryland
Amino derivatives of platanic acid act as selective and potent inhibitors of butyrylcholinesterase.EBI
Eur J Med Chem 126: 652-668 (2017)
Martin-Luther-University Halle-Wittenberg
A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors.EBI
J Med Chem 60: 157-169 (2017)
H. Lee Moffitt Cancer Center and Research Institute
First Structure-Activity Relationship of 17▀-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.EBI
J Med Chem 59: 10719-10737 (2016)
Philipps University Marburg
Revisiting the SAR of the Antischistosomal Aryl Hydantoin (Ro 13-3978).EBI
J Med Chem 59: 10705-10718 (2016)
University of Nebraska Medical Center
Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.EBI
J Med Chem 59: 10692-10704 (2016)
Universit£
Design, Synthesis, and Pharmacological Characterization of 2-(2-Furanyl)thiazolo[5,4-d]pyrimidine-5,7-diamine Derivatives: New Highly Potent AEBI
J Med Chem 59: 10564-10576 (2016)
Universit£
Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors.EBI
J Med Chem 59: 10629-10641 (2016)
Glaxosmithkline
Novel and High Affinity 2-[(Diphenylmethyl)sulfinyl]acetamide (Modafinil) Analogues as Atypical Dopamine Transporter Inhibitors.EBI
J Med Chem 59: 10676-10691 (2016)
National Institute On Drug Abuse
Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.EBI
J Med Chem 59: 10498-10519 (2016)
China Pharmaceutical University
Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.EBI
J Med Chem 59: 10479-10497 (2016)
RhôNe-Poulenc Rorer
Discovery of [5-Amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CH5183284/Debio 1347), An Orally Available and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor.EBI
J Med Chem 59: 10586-10600 (2016)
Chugai Pharmaceutical
Synthesis and Characterization of a Novel?-Aminobutyric Acid Type A (GABAEBI
J Med Chem 59: 10800-10806 (2016)
University of Wisconsin-Milwaukee
Identification of the Binding Site of Chroman-4-one-Based Sirtuin 2-Selective Inhibitors using Photoaffinity Labeling in Combination with Tandem Mass Spectrometry.EBI
J Med Chem 59: 10794-10799 (2016)
University of Gothenburg
Structure-Activity Relationship, Drug Metabolism and Pharmacokinetics Properties Optimization, and in Vivo Studies of New Brain Penetrant Triple T-Type Calcium Channel Blockers.EBI
J Med Chem 59: 10661-10675 (2016)
Actelion Pharmaceuticals
In Silico Discovery and Validation of Amide Based Small Molecule Targeting the Enzymatic Site of Shiga Toxin.EBI
J Med Chem 59: 10763-10773 (2016)
TBA
Measurement of Ligand-Target Residence Times byEBI
J Med Chem 59: 10788-10793 (2016)
University of Innsbruck
Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLAEBI
J Med Chem 59: 10738-10749 (2016)
Astex Pharmaceuticals
Tyrosyl-DNA Phosphodiesterase 1 Inhibitors: Usnic Acid Enamines Enhance the Cytotoxic Effect of Camptothecin.EBI
J Nat Prod 79: 2961-2967 (2016)
Siberian Branch of The Russian Academy of Sciences
An N,N-Bis(benzimidazolylpicolinoyl)piperazine (BT-11): A Novel Lanthionine Synthetase C-Like 2-Based Therapeutic for Inflammatory Bowel Disease.EBI
J Med Chem 59: 10113-10126 (2016)
Biotherapeutics
Discovery of Leucyladenylate Sulfamates as Novel Leucyl-tRNA Synthetase (LRS)-Targeted Mammalian Target of Rapamycin Complex 1 (mTORC1) Inhibitors.EBI
J Med Chem 59: 10322-10328 (2016)
Seoul National University
Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into 5HTEBI
J Med Chem 59: 11006-11026 (2016)
National Institute of Diabetes and Digestive and Kidney Diseases
Synthesis and application of▀-carbolines as novel multi-functional anti-Alzheimer's disease agents.EBI
Bioorg Med Chem Lett 27: 232-236 (2017)
University of Massachusetts Boston
Novel 3-methylindoline inhibitors of EZH2: Design, synthesis and SAR.EBI
Bioorg Med Chem Lett 27: 217-222 (2017)
Integral Biosciences
Novel pyrazolo[1,5-a]pyridines with improved aqueous solubility as p110a-selective PI3 kinase inhibitors.EBI
Bioorg Med Chem Lett 27: 187-190 (2017)
University of Auckland
Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties.EBI
Bioorg Med Chem 25: 714-726 (2017)
Sichuan University
In vivo anti-inflammatory activity and docking study of newly synthesized benzimidazole derivatives bearing oxadiazole and morpholine rings.BDB
Bioorg Chem 70: 107-117 (2017)
Jamia Hamdard (Hamdard University)
Synthesis of novel steroidal agonists, partial agonists, and antagonists for the glucocorticoid receptor.EBI
Bioorg Med Chem Lett 27: 347-353 (2017)
The Scripps Research Institute
An in-tether sulfoxide chiral center influences the biophysical properties of the N-capped peptides.EBI
Bioorg Med Chem 25: 1756-1761 (2017)
Peking University Shenzhen Graduate School
Discovery of 4-sulfamoyl-phenyl-▀-lactams as a new class of potent carbonic anhydrase isoforms I, II, IV and VII inhibitors: The first example of subnanomolar CA IV inhibitors.EBI
Bioorg Med Chem 25: 539-544 (2017)
National Institute of Pharmaceutical Education and Research (NIPER)
Importance of 5/6-aryl substitution on the pharmacological profile of 4'-((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid derived PPAR┐ agonists.EBI
Eur J Med Chem 126: 590-603 (2017)
University of Innsbruck
Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for Alzheimer's disease therapy.EBI
Eur J Med Chem 126: 576-589 (2017)
University of Sfax
Design, synthesis and analgesic/anti-inflammatory evaluation of novel diarylthiazole and diarylimidazole derivatives towards selective COX-1 inhibitors with better gastric profile.EBI
Bioorg Med Chem 25: 665-676 (2017)
Beni-Suef University
Progress in the development of▀-lactams as N-Acylethanolamine Acid Amidase (NAAA) inhibitors: Synthesis and SAR study of new, potent N-O-substituted derivatives.EBI
Eur J Med Chem 126: 561-575 (2017)
Istituto Italiano Di Tecnologia
Replacing the terminal piperidine in ceritinib with aliphatic amines confers activities against crizotinib-resistant mutants including G1202R.EBI
Eur J Med Chem 126: 536-549 (2017)
Korea Research Institute of Chemical Technology
Anion inhibition profiles of the┐-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei responsible of melioidosis and highly drug resistant to common antibiotics.EBI
Bioorg Med Chem 25: 575-580 (2017)
Italy
Triazolopyridine ethers as potent, orally active mGluEBI
Bioorg Med Chem 25: 496-513 (2017)
Bristol-Myers Squibb
Synthesis and binding monitoring of a new nanomolar PAMAM-based matrix metalloproteinases inhibitor (MMPIs).EBI
Bioorg Med Chem 25: 523-527 (2017)
University of Florence
Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors.EBI
Bioorg Med Chem Lett 27: 237-241 (2017)
Korea University
Discovery of a new isomannide-based peptidomimetic synthetized by Ugi multicomponent reaction as human tissue kallikrein 1 inhibitor.EBI
Bioorg Med Chem Lett 27: 314-318 (2017)
Universidade Federal Fluminense
Design and synthesis of new piperidone grafted acetylcholinesterase inhibitors.EBI
Bioorg Med Chem Lett 27: 228-231 (2017)
University of Nebraska Medical Center
Synthesis of novel chromenones linked to 1,2,3-triazole ring system: Investigation of biological activities against Alzheimer's disease.BDB
Bioorg Chem 70: 86-93 (2017)
Tehran University of Medical Sciences
New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis.EBI
Eur J Med Chem 126: 491-501 (2017)
Pontif£Cia Universidade Cat£Lica Do Rio Grande Do Sul
An overview of the binding models of FGFR tyrosine kinases in complex with small molecule inhibitors.EBI
Eur J Med Chem 126: 476-490 (2017)
The First Affiliated Hospital of Zhengzhou University
Virtual screening and biophysical studies lead to HSP90 inhibitors.EBI
Bioorg Med Chem Lett 27: 277-281 (2017)
University of Auckland
Structural optimization of diphenylpyrimidine derivatives (DPPYs) as potent Bruton's tyrosine kinase (BTK) inhibitors with improved activity toward B leukemia cell lines.EBI
Eur J Med Chem 126: 444-455 (2017)
Dalian Medical University
Discovery of dual positive allosteric modulators (PAMs) of the metabotropic glutamate 2 receptor and CysLT1 antagonists for treating migraine headache.EBI
Bioorg Med Chem Lett 27: 323-328 (2017)
Eli Lilly
Synthesis, evaluation and molecular modelling studies of 2-(carbazol-3-yl)-2-oxoacetamide analogues as a new class of potential pancreatic lipase inhibitors.EBI
Bioorg Med Chem 25: 609-620 (2017)
Birla Institute of Technology
N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.EBI
Bioorg Med Chem 25: 633-645 (2017)
University of Ljubljana
Design, synthesis, molecular docking, anti-Proteus mirabilis and urease inhibition of new fluoroquinolone carboxylic acid derivatives.BDB
Bioorg Chem 70: 1-11 (2017)
Minia University
Synthesis, alkaline phosphatase inhibition studies and molecular docking of novel derivatives of 4-quinolones.EBI
Eur J Med Chem 126: 408-420 (2017)
Universit£T Rostock
Rational design and synthesis of 1,5-disubstituted tetrazoles as potent inhibitors of the MDM2-p53 interaction.EBI
Eur J Med Chem 126: 384-407 (2017)
Jagiellonian University
Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays.EBI
Bioorg Med Chem Lett 27: 342-346 (2017)
University of Science and Technology of China
MARK inhibitors: Declaring a No-Go decision on a chemical series based on extensive DMPK experimentation.EBI
Bioorg Med Chem Lett 27: 109-113 (2017)
Merck
A benzo[b]thiophene-based selective type 4 S1P receptor agonist.EBI
Bioorg Med Chem Lett 27: 1-5 (2017)
Harvard Medical School
Design, synthesis, cyclooxygenase inhibition and biological evaluation of new 1,3,5-triaryl-4,5-dihydro-1H-pyrazole derivatives possessing amino/methanesulfonyl pharmacophore.BDB
Bioorg Chem 70: 57-66 (2017)
Beni-Suef University
Discovery and preclinical evaluation of 7-benzyl-N-(substituted)-pyrrolo[3,2-d]pyrimidin-4-amines as single agents with microtubule targeting effects along with triple-acting angiokinase inhibition as antitumor agents.EBI
Bioorg Med Chem 25: 545-556 (2017)
Duquesne University
An insight on synthetic and medicinal aspects of pyrazolo[1,5-a]pyrimidine scaffold.EBI
Eur J Med Chem 126: 298-352 (2017)
University of Kwazulu-Natal
Evaluation of dipeptide nitriles as inhibitors of rhodesain, a major cysteine protease of Trypanosoma brucei.EBI
Bioorg Med Chem Lett 27: 45-50 (2017)
Johannes Gutenberg University
Design and synthesis of 4,5,6,7-tetrahydro-1H-1,2-diazepin-7-one derivatives as a new series of Phosphodiesterase 4 (PDE4) inhibitors.EBI
Bioorg Med Chem Lett 27: 24-29 (2017)
University of Genoa
Design, synthesis and cytotoxicity studies of novel pyrazolo[1, 5-a]pyridine derivatives.EBI
Eur J Med Chem 126: 277-285 (2017)
Csir-Central Salt & Marine Chemicals Research Institute
1,2,3-Triazolyl ester of Ketorolac: A"Click Chemistry"-based highly potent PAK1-blocking cancer-killer.EBI
Eur J Med Chem 126: 270-276 (2017)
Kagoshima University
Terminal functionalized thiourea-containing dipeptides as multidrug-resistance reversers that target 20S proteasome and cell proliferation.EBI
Eur J Med Chem 126: 259-269 (2017)
Guangxi Normal University
Structure-activity relationship study of a small cyclic peptide H-c[Lys-Pro-Glu]-Arg-OH: a potent inhibitor of Vascular Endothelial Growth Factor interaction with Neuropilin-1.EBI
Bioorg Med Chem 25: 597-602 (2017)
University of Warsaw
Discovery of resveratrol derivatives as novel LSD1 inhibitors: Design, synthesis and their biological evaluation.EBI
Eur J Med Chem 126: 246-258 (2017)
Xinxiang Medical University
Anti-inflammatory tetraquinane diterpenoids from a Crinipellis species.EBI
Bioorg Med Chem 25: 514-522 (2017)
University of Kaiserslautern
Biology-oriented drug synthesis (BIODS): Inávitro▀-glucuronidase inhibitory and in silico studies on 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl carboxylate derivatives.EBI
Eur J Med Chem 125: 1289-1299 (2017)
University of Karachi
Design, synthesis, docking studies and biological evaluation of novel dihydro-1,3,5-triazines as human DHFR inhibitors.EBI
Eur J Med Chem 125: 1279-1288 (2017)
Shanghai Institute of Pharmaceutical Industry
3-Aroylindoles display antitumor activity inávitro and inávivo: Effects of N1-substituents on biological activity.EBI
Eur J Med Chem 125: 1268-1278 (2017)
Taipei Medical University
3-Cyano-6-(5-methyl-3-pyrazoloamino) pyridines (Part 2): A dual inhibitor of Aurora kinase and tubulin polymerization.EBI
Bioorg Med Chem Lett 26: 5860-5862 (2016)
Cxs
Synthesis and carbonic anhydrase inhibitory properties of novel chalcone substituted benzenesulfonamides.EBI
Bioorg Med Chem Lett 26: 5867-5870 (2016)
Giresun University
Design, synthesis and antithrombotic evaluation of novel non-peptide thrombin inhibitors.EBI
Bioorg Med Chem 25: 458-470 (2017)
China Pharmaceutical University
Rational identification of natural organic compounds to target the intermolecular interaction between Foxm and DNA in colorectal cancer.BDB
Bioorg Chem 70: 12-16 (2017)
Linyi People'S Hospital
Microwave assisted synthesis of novel tetrazole/sulfonamide derivatives based on octahydroacridine, xanthene and chromene skeletons as inhibitors of the carbonic anhydrases isoforms I, II, IV and VII.EBI
Bioorg Med Chem Lett 27: 86-89 (2017)
Dumlupinar University
A review on tacrine-based scaffolds as multi-target drugs (MTDLs) for Alzheimer's disease.EBI
Eur J Med Chem 128: 332-345 (2017)
Tehran University of Medical Sciences
Development of a triazole class of highly potent Porcn inhibitors.EBI
Bioorg Med Chem Lett 26: 5891-5895 (2016)
Ut Southwestern Medical Center
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.EBI
Bioorg Med Chem Lett 26: 5926-5930 (2016)
Gilead Sciences
Discovery of SOAT2 inhibitors from synthetic small molecules.EBI
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Kitasato University
Structure-anticonvulsant activity studies in the group of (E)-N-cinnamoyl aminoalkanols derivatives monosubstituted in phenyl ring with 4-Cl, 4-CHEBI
Bioorg Med Chem 25: 471-482 (2017)
Jagiellonian University Medical College
Imidazopyridine-fused [1,3]-diazepinones part 2: Structure-activity relationships and antiproliferative activity against melanoma cells.EBI
Eur J Med Chem 125: 1225-1234 (2017)
University of Montpellier
Design, synthesis and SAR analysis of potent BACE1 inhibitors: Possible lead drug candidates for Alzheimer's disease.EBI
Eur J Med Chem 125: 1213-1224 (2017)
University of Sharjah
Proteome-wide Profiling of Clinical PARP Inhibitors Reveals Compound-Specific Secondary Targets.BDB
Cell Chem Biol 23: 1490-1503 (2016)
H. Lee Moffitt Cancer Center & Research Institute
The discovery of quinoline based single-ligand human HEBI
Bioorg Med Chem Lett 26: 5855-5859 (2016)
Glaxosmithkline
Discovery of 2-((2-chloro-6-fluorophenyl)amino)-N-(3-fluoro-5-(trifluoromethyl)phenyl)-1-methyl-7,8-dihydro-1H-[1,4]dioxino[2',3':3,4]benzo[1,2-d]imidazole-5-carboxamide as potent, selective and efficacious microsomal prostaglandin EEBI
Bioorg Med Chem Lett 26: 5977-5984 (2016)
Glenmark Pharmaceuticals
Biosynthetic approaches to creating bioactive fungal metabolites: Pathway engineering and activation of secondary metabolism.EBI
Bioorg Med Chem Lett 26: 5843-5850 (2016)
Riken Csrs
Discovery of SMP-304, a novel benzylpiperidine derivative with serotonin transporter inhibitory activity and 5-HTEBI
Bioorg Med Chem 25: 293-304 (2017)
Sumitomo Dainippon Pharma
Tetrahydroquinoline-based tricyclic amines as potent and selective agonists of the 5-HTEBI
Bioorg Med Chem Lett 26: 5877-5882 (2016)
Arena Pharmaceuticals
Symmetrical aryl linked bis-iminothiazolidinones as new chemical entities for the inhibition of monoamine oxidases: Synthesis, in vitro biological evaluation and molecular modelling analysis.BDB
Bioorg Chem 70: 17-26 (2017)
Quaid-I-Azam University
Novel tacrine-1,2,3-triazole hybrids: Inávitro, inávivo biological evaluation and docking study of cholinesterase inhibitors.EBI
Eur J Med Chem 125: 1200-1212 (2017)
Tehran University of Medical Sciences
Synthesis and anticholinesterase activity of new substituted benzo[d]oxazole-based derivatives.BDB
Chem Biol Drug Des 89: 783-789 (2017)
Shahid Bahonar University of Kerman
Identification and structure-activity relationship of purine derivatives as novel MTH1 inhibitors.BDB
Chem Biol Drug Des 89: 862-869 (2017)
Riken Center For Life Science Technologies
Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.BDB
Chembiochem 18: 213-222 (2017)
University of Florida
Evaluation of known and novel inhibitors of Orai1-mediated store operated CaEBI
Bioorg Med Chem 25: 440-449 (2017)
The University of Queensland
Synthesis, anticancer, and docking studies of salicyl-hydrazone analogues: A novel series of small potent tropomyosin receptor kinase A inhibitors.EBI
Bioorg Med Chem 25: 389-396 (2017)
Dongguk University
Design, synthesis, biological evaluation, and molecular modeling studies of chalcone-rivastigmine hybrids as cholinesterase inhibitors.EBI
Bioorg Med Chem 25: 360-371 (2017)
South China University of Technology
Difluorocyclobutylacetylenes as positive allosteric modulators of mGluR5 with reduced bioactivation potential.EBI
Bioorg Med Chem Lett 26: 5871-5876 (2016)
Bristol-Myers Squibb
Benzyloxynitrostyrene analogues - A novel class of selective and highly potent inhibitors of monoamine oxidase B.EBI
Eur J Med Chem 125: 1193-1199 (2017)
North-West University
Discovery of benzimidazole derivatives as modulators of mitochondrial function: A potential treatment for Alzheimer's disease.EBI
Eur J Med Chem 125: 1172-1192 (2017)
Korea Institute of Science and Technology
Treatment of estrogen-dependent diseases: Design, synthesis and profiling of a selective 17▀-HSD1 inhibitor with sub-nanomolar ICEBI
Eur J Med Chem 127: 944-957 (2017)
Saarland University
Development of 1-aryl-3-furanyl/thienyl-imidazopyridine templates for inhibitors against hypoxia inducible factor (HIF)-1 transcriptional activity.EBI
Bioorg Med Chem Lett 26: 5887-5890 (2016)
Tokyo Institute of Innovative Research
3D-QSAR studies of 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids as AKR1C3 inhibitors: Highlight the importance of molecular docking in conformation generation.EBI
Bioorg Med Chem Lett 26: 5631-5638 (2016)
Guangzhou Medical University
SAR study of 5-alkynyl substituted quinazolin-4(3H)-ones as phosphoinositide 3-kinase delta (PI3K?) inhibitors.EBI
Eur J Med Chem 125: 1156-1171 (2017)
Shanghai Institute of Materia Medica (Simm)
Discovery of 4-[(5-arylidene-4-oxothiazolidin-3-yl)methyl]benzoic acid derivatives active as novel potent allosteric inhibitors of protein tyrosine phosphatase 1B: In silico studies and inávitro evaluation as insulinomimetic and anti-inflammatory agents.EBI
Eur J Med Chem 127: 840-858 (2017)
University of Messina
AEBI
Eur J Med Chem 127: 986-996 (2017)
Advinus Therapeutics
Synthesis, COX-1/2 inhibition activities and molecular docking study of isothiazolopyridine derivatives.EBI
Bioorg Med Chem 25: 316-326 (2017)
Wroclaw Medical University
NTS2-selective neurotensin mimetics with tetrahydrofuran amino acids.EBI
Bioorg Med Chem 25: 350-359 (2017)
University of Regensburg
Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.BDB
Cell Chem Biol 23: 1335-1340 (2016)
Eberhard Karls University Tuebingen
Synthesis of Keap1-phosphorylated p62 and Keap1-Nrf2 protein-protein interaction inhibitors and their inhibitory activity.EBI
Bioorg Med Chem Lett 26: 5956-5959 (2016)
Keio University
Decahydrobenzoquinolin-5-one sigma receptor ligands: Divergent development of both sigma 1 and sigma 2 receptor selective examples.EBI
Bioorg Med Chem Lett 26: 5689-5694 (2016)
University of Kansas
Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).EBI
Bioorg Med Chem Lett 26: 5947-5950 (2016)
Takeda California
Integrated bioinformatics, computational and experimental methods to discover novel Raf/extracellular-signal regulated kinase (ERK) dual inhibitors against breast cancer cells.EBI
Eur J Med Chem 127: 997-1011 (2017)
Sichuan University
A novel class ofa-glucosidase and HMG-CoA reductase inhibitors from Ganoderma leucocontextum and the anti-diabetic properties of ganomycin I in KK-AEBI
Eur J Med Chem 127: 1035-1046 (2017)
Chinese Academy of Sciences
Discovery of a potent and selective ROMK inhibitor with improved pharmacokinetic properties based on an octahydropyrazino[2,1-c][1,4]oxazine scaffold.EBI
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Merck Research Laboratories
First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington's disease: A proposal to chemists!EBI
Bioorg Med Chem Lett 26: 5712-5718 (2016)
Dr. Hari Singh Gour University
An evaluation of central penetration from a peripherally administered oxytocin receptor selective antagonist in nonhuman primates.EBI
Bioorg Med Chem 25: 305-315 (2017)
Emory University
Gaining in pan-affinity towards sigma 1 and sigma 2 receptors. SAR studies on arylalkylamines.EBI
Bioorg Med Chem 25: 11-19 (2017)
University of Pavia
Synthesis, biological evaluation, docking study and ulcerogenicity profiling of some novel quinoline-2-carboxamides as dual COXs/LOX inhibitors endowed with anti-inflammatory activity.EBI
Eur J Med Chem 127: 972-985 (2017)
Al-Azhar University
Design and synthesis of water soluble▀-aminosulfone analogues of SCH 900229 as┐-secretase inhibitors.EBI
Bioorg Med Chem Lett 26: 5836-5841 (2016)
Merck Research Laboratories
Novel bicyclo[3.1.0]hexane analogs as antagonists of metabotropic glutamate 2/3 receptors for the treatment of depression.EBI
Bioorg Med Chem Lett 26: 5663-5668 (2016)
Eli Lilly
[2.2.1]-Bicyclic sultams as potent androgen receptor antagonists.EBI
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Bristol-Myers Squibb Research and Development
Discovery of 1,3-diethyl-7-methyl-8-(phenoxymethyl)-xanthine derivatives as novel adenosine AEBI
Bioorg Med Chem Lett 26: 5951-5955 (2016)
North-West University
Optimization of benzoquinone and hydroquinone derivatives as potent inhibitors of human 5-lipoxygenase.EBI
Eur J Med Chem 127: 715-726 (2017)
Second University of Naples
Affinity-based small fluorescent probe for NAD(P)H:quinone oxidoreductase 1 (NQO1). Design, synthesis and pharmacological evaluation.EBI
Eur J Med Chem 127: 828-839 (2017)
China Pharmaceutical University
Synthesis, biological evaluation, QSAR and molecular dynamics simulation studies of potential fibroblast growth factor receptor 1 inhibitors for the treatment of gastric cancer.EBI
Eur J Med Chem 127: 885-899 (2017)
Wenzhou Medical Universtiy
GPR40 agonists for the treatment of type 2 diabetes mellitus: The biological characteristics and the chemical space.EBI
Bioorg Med Chem Lett 26: 5603-5612 (2016)
Shanghai University
Novel 5-nitropyrimidine derivatives bearing endo-azabicyclic alcohols/amines as potent GPR119 agonists.EBI
Bioorg Med Chem 25: 254-260 (2017)
Jiangxi University of Traditional Chinese Medicine
Design, synthesis, and biological activity of novel, potent, and highly selective fused pyrimidine-2-carboxamide-4-one-based matrix metalloproteinase (MMP)-13 zinc-binding inhibitors.EBI
Bioorg Med Chem 24: 6149-6165 (2016)
Takeda Pharmaceutical
Targeting Alzheimer's disease by investigating previously unexplored chemical space surrounding the cholinesterase inhibitor donepezil.EBI
Eur J Med Chem 127: 671-690 (2017)
University of Pretoria
Helixconstraints and amino acid substitution in GLP-1 increase cAMP and insulin secretion but not beta-arrestin 2 signaling.EBI
Eur J Med Chem 127: 703-714 (2017)
The University of Queensland
Novel biguanide-based derivatives scouted as TAAR1 agonists: Synthesis, biological evaluation, ADME prediction and molecular docking studies.EBI
Eur J Med Chem 127: 781-792 (2017)
University of Genoa
Amaryllidaceae alkaloids with new framework types from Zephyranthes candida as potent acetylcholinesterase inhibitors.EBI
Eur J Med Chem 127: 771-780 (2017)
Huazhong University of Science and Technology
New approach of delivering cytotoxic drugs towards CAIX expressing cells: A concept of dual-target drugs.EBI
Eur J Med Chem 127: 691-702 (2017)
Maastricht University Medical Centre
Discovery of highly potent and selective orexin 1 receptor antagonists (1-SORAs) suitable for in vivo interrogation of orexin 1 receptor pharmacology.EBI
Bioorg Med Chem Lett 26: 5809-5814 (2016)
Merck Research Laboratories
Novel 5-substituted 3-hydroxyphenyl and 3-nitrophenyl ethers of S-prolinol asa4▀2-nicotinic acetylcholine receptor ligands.EBI
Bioorg Med Chem Lett 26: 5613-5617 (2016)
Universit£
Optimization and bioevaluation of Cdc37-derived peptides: An insight into Hsp90-Cdc37 protein-protein interaction modulators.EBI
Bioorg Med Chem 25: 233-240 (2017)
China Pharmaceutical University
Modulating hydrogen-bond basicity within the context of protein-ligand binding: A case study with thrombin inhibitors thatáreveals a dominating role for desolvation.EBI
Eur J Med Chem 125: 975-991 (2017)
The State University of New York
Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors.EBI
Bioorg Med Chem Lett 26: 5729-5731 (2016)
Bristol-Myers Squibb
Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.EBI
Bioorg Med Chem Lett 27: 114-120 (2017)
Merck
Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties.EBI
Bioorg Med Chem Lett 26: 5657-5662 (2016)
Novartis Institutes For Biomedical Research
4-Carbonyl-2,6-dibenzylidenecyclohexanone derivatives as small molecule inhibitors of STAT3 signaling pathway.EBI
Bioorg Med Chem 24: 6174-6182 (2016)
Soochow University
Discovery of benzofuran propanoic acid GPR120 agonists: From uHTS hit to mechanism-based pharmacodynamic effects.EBI
Bioorg Med Chem Lett 26: 5724-5728 (2016)
Merck
Identification of lead small molecule inhibitors of glycogen synthase kinase-3 beta using a fragment-linking strategy.EBI
Bioorg Med Chem Lett 26: 5669-5673 (2016)
Institute For Basic Science (Ibs)
Discovery of phenoxyindazoles and phenylthioindazoles as ROR┐ inverse agonists.EBI
Bioorg Med Chem Lett 26: 5802-5808 (2016)
Galderma R & D
Discovery of 4-chloro-3-(5-(pyridin-3-yl)-1,2,4-oxadiazole-3-yl)benzamides as novel RET kinase inhibitors.EBI
Bioorg Med Chem Lett 26: 5679-5684 (2016)
Ocean University of China
Thioxylated cyclosporin A for studying protein-drug interactions.EBI
Bioorg Med Chem Lett 26: 5754-5756 (2016)
Technical University Dresden
Identification of a novel 5-amino-3-(5-cyclopropylisoxazol-3-yl)-1-isopropyl-1H-pyrazole-4-carboxamide as a specific RET kinase inhibitor.EBI
Eur J Med Chem 125: 1145-1155 (2017)
Korea Institute of Science & Technology (Kist)
From pyrrolidinyl-benzodioxane to pyrrolidinyl-pyridodioxanes, or from unselective antagonism to selective partial agonism at?4?2 nicotinic acetylcholine receptor.EBI
Eur J Med Chem 125: 1132-1144 (2017)
Universit£
Structure-activity relationship studies on 1-(2-oxopropyl)indole-5-carboxylic acids acting as inhibitors ofácytosolic phospholipase AEBI
Eur J Med Chem 125: 1107-1114 (2017)
University of M£Nster
Rational design of nitrofuran derivatives: Synthesis and valuation as inhibitors of Trypanosoma cruzi trypanothione reductase.EBI
Eur J Med Chem 125: 1088-1097 (2017)
Universidad Nacional Del Litoral
Synthesis and structure activity relationships of glycine amide derivatives as novel Vascular Adhesion Protein-1 inhibitors.EBI
Bioorg Med Chem 25: 187-201 (2017)
Astellas Pharma
Improved binding affinities of pyrrolidine derivatives as Mcl-1 inhibitors by modifying amino acid side chains.EBI
Bioorg Med Chem 25: 138-152 (2017)
Shandong University
Discovery of indazole ethers as novel, potent, non-steroidal glucocorticoid receptor modulators.EBI
Bioorg Med Chem Lett 26: 5741-5748 (2016)
Astrazeneca
Synthesis and biological evaluation of novel 2,4,5-triarylimidazole-1,2,3-triazole derivatives via click chemistry asa-glucosidase inhibitors.EBI
Bioorg Med Chem Lett 26: 5719-5723 (2016)
Jishou University
Largazole Analogues Embodying Radical Changes in the Depsipeptide Ring: Development of a More Selective and Highly Potent Analogue.EBI
J Med Chem 59: 10642-10660 (2016)
The University of Toledo
Structural Optimization of 4-Chlorobenzoylpiperidine Derivatives for the Development of Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors.EBI
J Med Chem 59: 10299-10314 (2016)
University of Pisa
Design, synthesis, and biological evaluation of pyrimidine derivatives as potential inhibitors of human calcium/calmodulin-dependent protein kinase IV.BDB
Chem Biol Drug Des 89: 741-754 (2017)
B.R. Ambedkar Bihar University
Insights of a Lead Optimization Study and Biological Evaluation of Novel 4-Hydroxytamoxifen Analogs as Estrogen-Related Receptor ? (ERR?) Inverse Agonists.EBI
J Med Chem 59: 10209-10227 (2016)
Daegu-Gyeongbuk Medical Innovation Foundation
Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.EBI
J Med Chem 59: 9881-9889 (2016)
Icahn School of Medicine At Mount Sinai
Magnetic Microbead Affinity Selection Screening (MagMASS) of Botanical Extracts for Inhibitors of 15-Lipoxygenase.EBI
J Nat Prod 79: 2898-2902 (2016)
University of Illinois At Chicago
Structure-Based Optimization of Multifunctional Agonists for Opioid and Neuropeptide FF Receptors with Potent Nontolerance Forming Analgesic Activities.EBI
J Med Chem 59: 10198-10208 (2016)
Lanzhou University
Discovery of 2-((R)-4-(2-Fluoro-4-(methylsulfonyl)phenyl)-2-methylpiperazin-1-yl)-N-((1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl)pyrimidine-4-carboxamide (SKI2852): A Highly Potent, Selective, and Orally Bioavailable Inhibitor of 11?-Hydroxysteroid Dehydrogenase Type 1 (11?-HSD1).EBI
J Med Chem 59: 10176-10189 (2016)
Sk Chemicals
Structure-Activity Relationships of [des-ArgEBI
J Med Chem 59: 10291-10298 (2016)
University of Arizona
Functional 1,3a,6a-triazapentalene scaffold: Design of fluorescent probes for kinesin spindle protein (KSP).EBI
Bioorg Med Chem Lett 26: 5765-5769 (2016)
University of Shizuoka
Urolinin: The First Linear Peptidic Urotensin-II Receptor Agonist.EBI
J Med Chem 59: 10100-10112 (2016)
Charit£-Universit£Tsmedizin Berlin
Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.BDB
ACS Chem Biol 11: 3442-3451 (2016)
Pfizer
Design, synthesis, and AChE inhibitory activity of new benzothiazole-piperazines.EBI
Bioorg Med Chem Lett 26: 5387-5394 (2016)
Anadolu University
II. Discovery of a novel series of CXCR3 antagonists with a beta amino acid core.EBI
Bioorg Med Chem Lett 26: 5429-5437 (2016)
Sanofi
Design, synthesis, and evaluation of (2S,4R)-Ketoconazole sulfonamide analogs as potential treatments for Metabolic Syndrome.EBI
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Temple University
Synthesis and optimization of furano[3,2-d]pyrimidines as selective spleen tyrosine kinase (Syk) inhibitors.EBI
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Abbvie Bioresearch Center
I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines.EBI
Bioorg Med Chem Lett 26: 5418-5428 (2016)
Sanofi
Strategy for designing selectivea-l-rhamnosidase inhibitors: Synthesis and biological evaluation of l-DMDP cyclic isothioureas.EBI
Bioorg Med Chem 25: 107-115 (2017)
University of Toyama
Recent discovery of non-nucleobase thymidine phosphorylase inhibitors targeting cancer.EBI
Eur J Med Chem 124: 992-1003 (2016)
Aimst University
Targeting the entry region of Hsp90's ATP binding pocket with a novel 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl amide.EBI
Eur J Med Chem 124: 1069-1080 (2016)
Keimyung University
8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.EBI
Eur J Med Chem 124: 1041-1056 (2016)
France Cnrs
Synthesis of new donepezil analogues and investigation of their effects on cholinesterase enzymes.EBI
Eur J Med Chem 124: 1026-1040 (2016)
Anadolu University
Design, Synthesis, and Biological Evaluation of Novel Cyclic Adenosine-Inosine Monophosphate (cAIMP) Analogs That Activate Stimulator of Interferon Genes (STING).EBI
J Med Chem 59: 10253-10267 (2016)
Invivogen
Design and Synthesis of Cajanine Analogues against Hepatitis C Virus through Down-Regulating Host Chondroitin Sulfate N-Acetylgalactosaminyltransferase 1.EBI
J Med Chem 59: 10268-10284 (2016)
Chinese Academy of Medical Sciences and Peking Union Medical College
Discovery of potent inhibitors of the lysophospholipase autotaxin.EBI
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Babraham Research Campus
5-Aminopyrazole-4-carboxamide analogues are selective inhibitors of Plasmodium falciparum microgametocyte exflagellation and potential malaria transmission blocking agents.EBI
Bioorg Med Chem Lett 26: 5487-5491 (2016)
University of Washington
Synthesis, structure-activity relationship and molecular docking of 3-oxoaurones and 3-thioaurones as acetylcholinesterase and butyrylcholinesterase inhibitors.EBI
Bioorg Med Chem 25: 100-106 (2017)
University of Gujrat
Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.EBI
J Med Chem 60: 66-88 (2017)
Eli Lilly
Variation of the aryl substituent on the piperazine ring within the 4-(piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine scaffold unveils potent, non-competitive inhibitors of the inflammatory caspases.EBI
Bioorg Med Chem Lett 26: 5476-5480 (2016)
Depaul University
Design, synthesis and activity of novel sorafenib analogues bearing chalcone unit.EBI
Bioorg Med Chem Lett 26: 5450-5454 (2016)
Jiangxi Science & Technology Normal University
Inhibition of plasma lipid oxidation induced by peroxyl radicals, peroxynitrite, hypochlorite, 15-lipoxygenase, and singlet oxygen by clinical drugs.EBI
Bioorg Med Chem Lett 26: 5411-5417 (2016)
Kyoto Prefectural University of Medicine
Identification of the minimum PAR4 inhibitor pharmacophore and optimization of a series of 2-methoxy-6-arylimidazo[2,1-b][1,3,4]thiadiazoles.EBI
Bioorg Med Chem Lett 26: 5481-5486 (2016)
Vanderbilt University Medical Center
Discovery, structure-activity relationship studies, and anti-nociceptive effects of N-(1,2,3,4-tetrahydro-1-isoquinolinylmethyl)benzamides as novel opioid receptor agonists.EBI
Eur J Med Chem 126: 202-217 (2017)
National Health Research Institutes
Design and characterization of bivalent BET inhibitors.BDB
Nat Chem Biol 12: 1089-1096 (2016)
Dana-Farber Cancer Institute
Small-molecule factor D inhibitors targeting the alternative complement pathway.BDB
Nat Chem Biol 12: 1105-1110 (2016)
Novartis Pharma
Combined Interactions with IEBI
ACS Med Chem Lett 7: 956-961 (2016)
University of Camerino
Design, Synthesis, and Antitumor Evaluation of 4-Amino-(1EBI
ACS Med Chem Lett 7: 950-955 (2016)
Shandong University
Discovery of 8-Membered Ring Sulfonamides as Inhibitors of Oncogenic Mutant Isocitrate Dehydrogenase 1.EBI
ACS Med Chem Lett 7: 944-949 (2016)
Harvard University
Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor.EBI
ACS Med Chem Lett 7: 933-938 (2016)
Takeda Pharmaceutical
Development of a Potent and Selective HDAC8 Inhibitor.EBI
ACS Med Chem Lett 7: 929-932 (2016)
Boston University
Concise SAR Exploration Based on the"Head-to-Tail" Approach: Discovery of PI4KIIIa Inhibitors Bearing Diverse Scaffolds.EBI
ACS Med Chem Lett 7: 919-923 (2016)
Japan Tobacco
Discovery of ONO-7300243 from a Novel Class of Lysophosphatidic Acid Receptor 1 Antagonists: From Hit to Lead.EBI
ACS Med Chem Lett 7: 913-918 (2016)
Ono Pharmaceutical
Discovery of a Series of 5,11-Dihydro-6EBI
ACS Med Chem Lett 7: 908-912 (2016)
Dana-Farber Cancer Institute
ExploringEBI
ACS Med Chem Lett 7: 902-907 (2016)
University of California San Francisco
Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.EBI
ACS Med Chem Lett 7: 896-901 (2016)
Genentech
Varying Chirality Across Nicotinic Acetylcholine Receptor Subtypes: Selective Binding of Quinuclidine Triazole Compounds.EBI
ACS Med Chem Lett 7: 890-895 (2016)
Mahidol University
Discovery of AZD2716: A Novel Secreted Phospholipase AEBI
ACS Med Chem Lett 7: 884-889 (2016)
Astrazeneca
Protease-Activated Receptor 1 (PAR-1) Antagonists as Potential Treatment for Acute Coronary Syndrome.EBI
ACS Med Chem Lett 7: 881-883 (2016)
Therachem Research Medilab (India)
Therapeutic Potential of Smurf-1 Inhibitors for the Treatment of Pulmonary Arterial Hypertension (PAH).EBI
ACS Med Chem Lett 7: 878-880 (2016)
Therachem Research Medilab (India)
Identification of 4-(2-furanyl)pyrimidin-2-amines as Janus kinase 2 inhibitors.EBI
Bioorg Med Chem 25: 75-83 (2017)
Central China Normal University
Analogue based drug design, synthesis, molecular docking and anticancer evaluation of novel chromene sulfonamide hybrids as aromatase inhibitors and apoptosis enhancers.EBI
Eur J Med Chem 124: 946-958 (2016)
King Saud University
Discovery and preliminary structure-activity relationship of 1H-indazoles with promising indoleamine-2,3-dioxygenase 1 (IDO1) inhibition properties.EBI
Bioorg Med Chem 24: 6194-6205 (2016)
Xihua University
Synthesis and investigation of novel 6-(1,2,3-triazol-4-yl)-4-aminoquinazolin derivatives possessing hydroxamic acid moiety for cancer therapy.EBI
Bioorg Med Chem 25: 27-37 (2017)
Tsinghua University
Bis(N-amidinohydrazones) and N-(amidino)-N'-aryl-bishydrazones: New classes of antibacterial/antifungal agents.EBI
Bioorg Med Chem 25: 58-66 (2017)
University of Kentucky
The synthesis and biological evaluation of alkyl and benzyl naphthyridinium analogs of eupolauridine as potential antimicrobial and cytotoxic agents.EBI
Bioorg Med Chem 24: 6119-6130 (2016)
Southern Research Institute
Metabolism-based structure optimization: Discovery of a potent and orally available tyrosine kinase ALK inhibitor bearing the tetracyclic benzo[b]carbazolone core.EBI
Bioorg Med Chem Lett 26: 5399-5402 (2016)
Ocean University of China
Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.EBI
Bioorg Med Chem Lett 26: 5580-5590 (2016)
Amgen
Synthesis and biological evaluation of ranitidine analogs as multiple-target-directed cognitive enhancers for the treatment of Alzheimer's disease.EBI
Bioorg Med Chem Lett 26: 5573-5579 (2016)
University of South Carolina
Green fluorescent protein chromophore derivatives as a new class of aldose reductase inhibitors.EBI
Eur J Med Chem 125: 965-974 (2017)
Toho University
Design, synthesis and biological evaluation of [1,2,4]triazolo[1,5-a]pyrimidines as potent lysine specific demethylase 1 (LSD1/KDM1A) inhibitors.EBI
Eur J Med Chem 125: 940-951 (2017)
Zhengzhou University
Urea-containing peptide boronic acids as potent proteasome inhibitors.EBI
Eur J Med Chem 125: 925-939 (2017)
Peking University
Design of a doxorubicin-peptidomimetic conjugate that targets HER2-positive cancer cells.EBI
Eur J Med Chem 125: 914-924 (2017)
University of Louisiana At Monroe
Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.BDB
ACS Chem Biol 11: 3400-3411 (2016)
Technical University of Munich
Therapeutic Potential of Fatty Acid Amide Hydrolase, Monoacylglycerol Lipase, and N-Acylethanolamine Acid Amidase Inhibitors.EBI
J Med Chem 60: 4-46 (2017)
Universit£
The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.EBI
J Med Chem 59: 10084-10099 (2016)
Pfizer
An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.EBI
J Med Chem 59: 10315-10321 (2016)
University of Oxford
Design, synthesis and structure-activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands.EBI
Bioorg Med Chem Lett 26: 5568-5572 (2016)
Jagiellonian University Medical College
Synthesis of linear and angular aryl-morpholino-naphth-oxazines, their DNA-PK, PI3K, PDE3A and antiplatelet activity.EBI
Bioorg Med Chem Lett 26: 5534-5538 (2016)
La Trobe University
Design, synthesis and biological evaluation of novel non-covalent piperidine-containing peptidyl proteasome inhibitors.EBI
Bioorg Med Chem 24: 6206-6214 (2016)
Hangzhou Xixi Hospital
Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.EBI
Sci Adv 2: (2016)
University of Oxford
Isolation of Acacetin from Calea urticifolia with Inhibitory Properties against Human Monoamine Oxidase-A and -B.EBI
J Nat Prod 79: 2538-2544 (2016)
Temple University
Development of Allosteric Hydrazide-Containing Class I Histone Deacetylase Inhibitors for Use in Acute Myeloid Leukemia.EBI
J Med Chem 59: 9942-9959 (2016)
Medical University of South Carolina
Validation of flavonoids as potential dipeptidyl peptidase III inhibitors: Experimental and computational approach.BDB
Chem Biol Drug Des 89: 619-627 (2017)
Josip Juraj Strossmayer University of Osijek
Rational Design of Cyclic Peptide Inhibitors of U2AF Homology Motif (UHM) Domains To Modulate Pre-mRNA Splicing.EBI
J Med Chem 59: 10190-10197 (2016)
Helmholtz Zentrum M�Nchen
Sodium hydrogen exchanger inhibitory activity of benzotriazole derivatives.EBI
Eur J Med Chem 126: 183-189 (2017)
Punjabi University
(5aR)-5a-C-Pentyl-4-epi-isofagomine: A powerful inhibitor of lysosomal▀-galactosidase and a remarkable chaperone for mutations associated with GM1-gangliosidosis and Morquio disease type B.EBI
Eur J Med Chem 126: 160-170 (2017)
Universit£
Fragment-based discovery of novel pentacyclic triterpenoid derivatives as cholesteryl ester transfer protein inhibitors.EBI
Eur J Med Chem 126: 143-153 (2017)
China Pharmaceutical University
Discovery of novel Ponatinib analogues for reducing KDR activity as potent FGFRs inhibitors.EBI
Eur J Med Chem 126: 122-132 (2017)
Chinese Academy of Sciences
Rational design and synthesis of dihydropyrimidine based dual binding site acetylcholinesterase inhibitors.BDB
Bioorg Chem 69: 91-101 (2016)
Hazara University
Design, synthesis, evaluation and molecular modelling studies of some novel 5,6-diphenyl-1,2,4-triazin-3(2H)-ones bearing five-member heterocyclic moieties as potential COX-2 inhibitors: A hybrid pharmacophore approach.BDB
Bioorg Chem 69: 102-120 (2016)
Indian Institute of Technology (Banaras Hindu University)
Expanding the Cancer Arsenal with Targeted Therapies: Disarmament of the Antiapoptotic Bcl-2 Proteins by Small Molecules.EBI
J Med Chem 60: 821-838 (2017)
University of Maryland
The Discovery, Preclinical, and Early Clinical Development of Potent and Selective GPR40 Agonists for the Treatment of Type 2 Diabetes Mellitus (LY2881835, LY2922083, and LY2922470).EBI
J Med Chem 59: 10891-10916 (2016)
Lilly Research Laboratories
Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).EBI
J Med Chem 59: 9567-9573 (2016)
Sanofi R & D
Identification of a Potential Antimalarial Drug Candidate from a Series of 2-Aminopyrazines by Optimization of Aqueous Solubility and Potency across the Parasite Life Cycle.EBI
J Med Chem 59: 9890-9905 (2016)
University of Cape Town
Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).BDB
ACS Chem Biol 11: 3374-3382 (2016)
University of Michigan
Chemical Inhibition of Human Thymidylate Kinase and Structural Insights into the Phosphate Binding Loop and Ligand-Induced Degradation.EBI
J Med Chem 59: 9906-9918 (2016)
National Taiwan University
Phenylindenone isomers as divergent modulators of p38a MAP kinase.EBI
Bioorg Med Chem Lett 26: 5160-5163 (2016)
Universit£
Synthesis and evaluation of 7-substituted coumarin derivatives as multimodal monoamine oxidase-B and cholinesterase inhibitors for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 125: 853-864 (2017)
University of The Western Cape
Design, synthesis and biological evaluation of bambuterol analogues as novel inhibitors of butyrylcholinesterase.EBI
Eur J Med Chem 126: 61-71 (2017)
South China University of Technology
Rapid preparation of (3R,4S,5R) polyhydroxylated pyrrolidine-based libraries to discover a pharmacological chaperone for treatment of Fabry disease.EBI
Eur J Med Chem 126: 1-6 (2017)
National Cheng Kung University
Design, synthesis, cytotoxicity, HuTopoIIa inhibitory activity and molecular docking studies of pyrazole derivatives as potential anticancer agents.BDB
Bioorg Chem 69: 77-90 (2016)
Jamia Millia Islamia (A Central University)
Fragment-to-Lead Medicinal Chemistry Publications in 2015.EBI
J Med Chem 60: 89-99 (2017)
Astex Pharmaceuticals
Antiangiogenic Effect of (▒)-Haloperidol Metabolite II Valproate Ester [(▒)-MRJF22] in Human Microvascular Retinal Endothelial Cells.EBI
J Med Chem 59: 9960-9966 (2016)
University of Catania
From Lead to Drug Candidate: Optimization of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as Agents for the Treatment of Triple Negative Breast Cancer.EBI
J Med Chem 59: 9788-9805 (2016)
Sichuan University
Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell LympEBI
J Med Chem 59: 9928-9941 (2016)
Constellation Pharmaceuticals
Probing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules.EBI
J Med Chem 59: 9814-9824 (2016)
Uit The Arctic University of Norway
Design, Synthesis, and Pharmacological Evaluation of 2-(2,5-Dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)-N-aryl Propanamides as Novel Smoothened (Smo) Antagonists.EBI
J Med Chem 59: 11050-11068 (2016)
University of Chinese Academy of Sciences
The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified Tacrines as Cholinesterases Inhibitors, Direct Antioxidants, and Nuclear Factor (Erythroid-Derived 2)-Like 2 Activators.EBI
J Med Chem 59: 9967-9973 (2016)
Universit£
Hit-to-Lead Optimization of Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists with a Diphenylmethane-Scaffold: Design, Synthesis, and Biological Study.EBI
J Med Chem 59: 9825-9836 (2016)
University of Pisa
Isolation of Phorbol Esters from Euphorbia grandicornis and Evaluation of Protein Kinase C- and Human Platelet-Activating Effects of Euphorbiaceae Diterpenes.EBI
J Nat Prod 79: 2658-2666 (2016)
Kaohsiung Medical University
Radiofluorinated N-Octanoyl Dopamine ([EBI
J Med Chem 59: 9855-9865 (2016)
Mannheim University of Applied Sciences
Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.EBI
J Med Chem 59: 9919-9927 (2016)
University of Z£Rich
Pyrazolo[1,5a]pyrimidines as a new class of FUSE binding protein 1 (FUBP1) inhibitors.EBI
Bioorg Med Chem 24: 5717-5729 (2016)
Institute For Tumor Biology and Experimental Therapy
Halogenated naphthochalcones and structurally related naphthopyrazolines with antitumor activity.EBI
Bioorg Med Chem Lett 26: 5168-5171 (2016)
University Bayreuth
Screening and biological evaluation of a novel STAT3 signaling pathway inhibitor against cancer.EBI
Bioorg Med Chem Lett 26: 5172-5176 (2016)
Dalian Medical University
Recent progress in the identification of adenosine monophosphate-activated protein kinase (AMPK) activators.EBI
Bioorg Med Chem Lett 26: 5139-5148 (2016)
Pfizer
Natural-Based Indirubins Display Potent Cytotoxicity toward Wild-Type and T315I-Resistant Leukemia Cell Lines.EBI
J Nat Prod 79: 2464-2471 (2016)
Beckman Research Institute
New ?-Lactam Derivatives Modulate Cell Adhesion and Signaling Mediated by RGD-Binding and Leukocyte Integrins.EBI
J Med Chem 59: 9721-9742 (2016)
University of Bologna
Identification of Tricyclic Agonists of Sphingosine-1-phosphate Receptor 1 (S1PEBI
J Med Chem 59: 9837-9854 (2016)
Bristol-Myers Squibb
Design and Discovery of Functionally Selective Serotonin 2C (5-HTEBI
J Med Chem 59: 9866-9880 (2016)
University of Illinois At Chicago
SF2312 is a natural phosphonate inhibitor of enolase.BDB
Nat Chem Biol 12: 1053-1058 (2016)
University of Texas M. D. Anderson Cancer Center
Design, synthesis, in-silico and biological evaluation of novel donepezil derivatives as multi-target-directed ligands for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 125: 736-750 (2017)
University of Delhi
Exploration of the imidazo[1,2-b]pyridazine scaffold as a protein kinase inhibitor.EBI
Eur J Med Chem 125: 696-709 (2017)
University of Paris
Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation.EBI
Eur J Med Chem 125: 676-695 (2017)
Jagiellonian University Medical College
Selected C8 two-chain linkers enhance the adenosine AEBI
Eur J Med Chem 125: 652-656 (2017)
North-West University
Imidazo[1,2-a]pyrazin-8-amine core for the design of new adenosine receptor antagonists: Structural exploration to target the AEBI
Eur J Med Chem 125: 611-628 (2017)
Universita Degli Studi Di Firenze
(+)-and (-)-Phenazocine enantiomers: Evaluation of their dual opioid agonist/sEBI
Eur J Med Chem 125: 603-610 (2017)
University of Catania
Discovery, design and synthesis of 6H-anthra[1,9-cd]isoxazol-6-one scaffold as G9a inhibitor through a combination of shape-based virtual screening and structure-based molecular modification.EBI
Bioorg Med Chem 24: 6102-6108 (2016)
China Pharmaceutical University
Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction.EBI
Bioorg Med Chem 24: 6109-6118 (2016)
China Pharmaceutical University
A monocyclic neodysiherbaine analog: Synthesis and evaluation.EBI
Bioorg Med Chem Lett 26: 5164-5167 (2016)
Yokohama City University
Synthesis, structure determination, and biological evaluation of phenylsulfonyl hydrazide derivatives as potential anti-inflammatory agents.EBI
Bioorg Med Chem Lett 26: 5193-5197 (2016)
Kyung Hee University
Multitarget-directed oxoisoaporphine derivatives: Anti-acetylcholinesterase, anti-?-amyloid aggregation and enhanced autophagy activity against Alzheimer's disease.EBI
Bioorg Med Chem 24: 6031-6039 (2016)
Guangxi Normal University
Exploration of bivalent ligands targeting putative mu opioid receptor and chemokine receptor CCR5 dimerization.EBI
Bioorg Med Chem 24: 5969-5987 (2016)
Virginia Commonwealth University
Novel approach of fragment-based lead discovery applied to renin inhibitors.EBI
Bioorg Med Chem 24: 6066-6074 (2016)
Takeda Pharmaceutical
Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.EBI
Bioorg Med Chem Lett 26: 5247-5253 (2016)
Indiana University
Antitumor Activity of Lankacidin Group Antibiotics Is Due to Microtubule Stabilization via a Paclitaxel-like Mechanism.EBI
J Med Chem 59: 9532-9540 (2016)
University of Alberta
Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine AEBI
Eur J Med Chem 125: 586-602 (2017)
Leiden University
Discovery of nanomolar ligands with novel scaffolds for the histamine H4 receptor by virtual screening.EBI
Eur J Med Chem 125: 565-572 (2017)
Bioprojet-Biotech
Synthesis and evaluation of the structural elements in alkylated tetrahydroisoquinolines for binding to CNS receptors.EBI
Bioorg Med Chem 24: 5730-5740 (2016)
Florida A&M University
Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors.EBI
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Integral Biosciences
Discovery of selective protein arginine methyltransferase 5 inhibitors and biological evaluations.BDB
Chem Biol Drug Des 89: 585-598 (2017)
Sichuan University
In vivo effective dibenzo[b,d]furan-1-yl-thiazoles as novel PDE-4 inhibitors.EBI
Bioorg Med Chem 24: 5702-5716 (2016)
Orchid Pharma
Design, synthesis, and activity evaluation of selective inhibitors of anti-apoptotic Bcl-2 proteins: The effects on the selectivity of the P1 pockets in the active sites.EBI
Bioorg Med Chem Lett 26: 5207-5211 (2016)
China Pharmaceutical University
Discovery and Characterization of Allosteric WNK Kinase Inhibitors.BDB
ACS Chem Biol 11: 3338-3346 (2016)
Novartis Institutes For Biomedical Research
Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as SelectiveaEBI
J Med Chem 59: 9489-9502 (2016)
Chinese Academy of Sciences
A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.BDB
ACS Chem Biol 11: 3310-3318 (2016)
Jagiellonian University
Cyclic peptide-based potent and selective SIRT1/2 dual inhibitors harboring NEBI
Bioorg Med Chem Lett 26: 5234-5239 (2016)
Jiangsu University
Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.BDB
Cell Chem Biol 23: 1193-1205 (2016)
Universitńtsklinikum Frankfurt
Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease.EBI
Bioorg Med Chem 24: 5929-5940 (2016)
China Pharmaceutical University
Synthesis and structure-activity relationships of 1-benzylindane derivatives as selective agonists for estrogen receptor beta.EBI
Bioorg Med Chem 24: 5895-5910 (2016)
Kissei Pharmaceutical
N-Arylsulfonyl-a-amino carboxamides are potent and selective inhibitors of the chemokine receptor CCR10 that show efficacy in the murine DNFB model of contact hypersensitivity.EBI
Bioorg Med Chem Lett 26: 5277-5283 (2016)
Boehringer Ingelheim Pharmaceuticals
Synthesis and evaluation of a 2-benzothiazolylphenylmethyl ether class of histamine H4 receptor antagonists.EBI
Bioorg Med Chem Lett 26: 5263-5266 (2016)
Bioprojet-Biotech
Synthesis and activity of newly designed aroxyalkyl or aroxyethoxyethyl derivatives of piperazine on the cardiovascular and the central nervous systems.EBI
Bioorg Med Chem Lett 26: 5315-5321 (2016)
Jagiellonian University Medical College
Identification of methionine aminopeptidase 2 as a molecular target of the organoselenium drug ebselen and its derivatives/analogues: Synthesis, inhibitory activity and molecular modeling study.EBI
Bioorg Med Chem Lett 26: 5254-5259 (2016)
Wroclaw University of Technology
Design, synthesis, and biological evaluation ofa-hydroxyacyl-AMS inhibitors of amino acid adenylation enzymes.EBI
Bioorg Med Chem Lett 26: 5340-5345 (2016)
Weill Cornell Graduate School of Medical Sciences
Synthesis and Pin1 inhibitory activity of thiazole derivatives.EBI
Bioorg Med Chem 24: 5911-5920 (2016)
Chinese Academy of Medical Sciences & Peking Union Medical College
Design, synthesis, and evaluation of novel porcupine inhibitors featuring a fused 3-ring system based on the 'reversed' amide scaffold.EBI
Bioorg Med Chem 24: 5861-5872 (2016)
Soochow University
Discovery and Development of Kelch-like ECH-Associated Protein 1. Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction Inhibitors: Achievements, Challenges, and Future Directions.EBI
J Med Chem 59: 10837-10858 (2016)
China Pharmaceutical University
Discovery of Second Generation Reversible Covalent DPP1 Inhibitors Leading to an Oxazepane Amidoacetonitrile Based Clinical Candidate (AZD7986).EBI
J Med Chem 59: 9457-9472 (2016)
Charles River Discovery Research Services
Side Chain Cyclized Aromatic Amino Acids: Great Tools as Local Constraints in Peptide and Peptidomimetic Design.EBI
NA
Vrije Universiteit Brussel
New Inhibitors of Indoleamine 2,3-Dioxygenase 1: Molecular Modeling Studies, Synthesis, and Biological Evaluation.EBI
J Med Chem 59: 9760-9773 (2016)
Alchemical Dynamics
Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late IEBI
J Med Chem 59: 9005-9017 (2016)
Gilead Sciences
Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.EBI
J Med Chem 59: 9390-9408 (2016)
Fimbrion Therapeutics
Synthesis, evaluation, and CoMFA study of fluoroquinophenoxazine derivatives as bacterial topoisomerase IA inhibitors.EBI
Eur J Med Chem 125: 515-527 (2017)
University of Hawaii At Hilo
Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B.EBI
Eur J Med Chem 125: 500-514 (2017)
University of Ljubljana
Natural and synthetic bioactive inhibitors of glycogen synthase kinase.EBI
Eur J Med Chem 125: 464-477 (2017)
Jamia Hamdard (Hamdard University)
Synthesis, biological evaluation and molecular modeling of 1-oxa-4-thiaspiro- and 1,4-dithiaspiro[4.5]decane derivatives asápotent and selective 5-HTEBI
Eur J Med Chem 125: 435-452 (2017)
Universit£
Repurposing N,N'-bis-(arylamidino)-1,4-piperazinedicarboxamidines: An unexpected class of potent inhibitors of cholinesterases.EBI
Eur J Med Chem 125: 430-434 (2017)
Martin-Luther-University Halle-Wittenberg
Synthesis, inávitro evaluation and molecular docking studies of novel triazine-triazole derivatives as potential?-glucosidase inhibitors.EBI
Eur J Med Chem 125: 423-429 (2017)
Jishou University
Design, synthesis and biological evaluation of novel 2,3-dihydroquinazolin- 4(1H)-one derivatives as potential fXa inhibitors.EBI
Eur J Med Chem 125: 411-422 (2017)
China Pharmaceutical University
First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib.BDB
ACS Chem Biol 11: 3179-3190 (2016)
University of Manchester
Synthesis and inávitro characterization of novel fluorinated derivatives of the translocator protein 18ákDa ligand CfO-DPA-714.EBI
Eur J Med Chem 125: 346-359 (2017)
Institute of Biomedical Imaging (I2Bm)
Design, synthesis and pharmacological evaluation of 4,5-diarylisoxazols bearing amino acid residues within the 3-amido motif as potent heat shock protein 90 (Hsp90) inhibitors.EBI
Eur J Med Chem 125: 315-326 (2017)
China Pharmaceutical University
New azepino[4,3-b]indole derivatives as nanomolar selective inhibitors of human butyrylcholinesterase showing protective effectsáagainst NMDA-induced neurotoxicity.EBI
Eur J Med Chem 125: 288-298 (2017)
University of Bari&Quot;A. Moro&Quot
Identification of novel microsomal prostaglandin EEBI
Eur J Med Chem 125: 278-287 (2017)
University of Salerno
Synthesis and evaluation of C9 alkoxy analogues of (-)-stepholidine as dopamine receptor ligands.EBI
Eur J Med Chem 125: 255-268 (2017)
City University of New York
Design and discovery of 4-anilinoquinazoline-urea derivatives as dual TK inhibitors of EGFR and VEGFR-2.EBI
Eur J Med Chem 125: 245-254 (2017)
China Pharmaceutical University
Tyrosyl-DNA phosphodiesterase inhibitors: Progress and potential.EBI
Bioorg Med Chem 24: 5017-5027 (2016)
Russian Academy of Sciences
A facile stereoselective synthesis of dispiro-indeno pyrrolidine/pyrrolothiazole-thiochroman hybrids and evaluation of their antimycobacterial, anticancer and AchE inhibitory activities.EBI
Bioorg Med Chem 24: 5873-5883 (2016)
Madurai Kamaraj University
Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.EBI
Bioorg Med Chem 24: 5771-5780 (2016)
Takeda Pharmaceutical
Targeting cytochrome P450 (CYP) 1B1 with steroid derivatives.EBI
Bioorg Med Chem Lett 26: 5272-5276 (2016)
Chu De Qu£Bec - Research Center (Chul)
Design and synthesis of peptide-based macrocyclic cyclophilin inhibitors.EBI
Bioorg Med Chem Lett 26: 5304-5307 (2016)
Astrazeneca
Identification of small molecules that bind to the mitochondrial protein mitoNEET.EBI
Bioorg Med Chem Lett 26: 5350-5353 (2016)
West Virginia University
Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.EBI
J Med Chem 59: 10163-10175 (2016)
F. Hoffmann-La Roche
Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.EBI
J Med Chem 59: 10549-10563 (2016)
Genentech
(1S,2E,4S,7E,11E)-2,7,11-Cembratriene-4,6-diol semisynthetic analogs as novel c-Met inhibitors for the control of c-Met-dependent breast malignancies.EBI
Bioorg Med Chem 24: 5748-5761 (2016)
University of Louisiana At Monroe
Synthesis and evaluation of dihydropyrimidinone-derived selenoesters as multi-targeted directed compounds against Alzheimer's disease.EBI
Bioorg Med Chem 24: 5762-5770 (2016)
Universidade Federal De Santa Catarina
Further investigation of Paprotrain: Towards the conception of selective and multi-targeted CNS kinase inhibitors.EBI
Eur J Med Chem 124: 920-934 (2016)
Cnrs
Phenyltetrazolyl-phenylamides: Substituent impact on modulation capability and selectivity toward the efflux protein ABCG2 and investigation of interaction with the transporter.EBI
Eur J Med Chem 124: 881-895 (2016)
Rheinische Friedrich-Wilhelms-Universit£T Bonn
Inhibition of Low Molecular Weight Protein Tyrosine Phosphatase by an Induced-Fit Mechanism.EBI
J Med Chem 59: 9094-9106 (2016)
Purdue University
Application of Fragment-Based de Novo Design to the Discovery of Selective Picomolar Inhibitors of Glycogen Synthase Kinase-3 Beta.EBI
J Med Chem 59: 9018-9034 (2016)
Sejong University
A Cyclic Tetrapeptide ("Cyclodal") and Its Mirror-Image Isomer Are Both High-AffinityÁ Opioid Receptor Antagonists.EBI
J Med Chem 59: 9243-9254 (2016)
Clinical Research Institute of Montreal
Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.EBI
J Med Chem 59: 8889-8912 (2016)
Ludwig-Maximilians-Universit£T M£Nchen
Wortmannilactones I-L, new NADH-fumarate reductase inhibitors, induced by adding suberoylanilide hydroxamic acid to the culture medium of Talaromyces wortmannii.EBI
Bioorg Med Chem Lett 26: 5328-5333 (2016)
Dalian University of Technology
Tetrahydropyrazolo[4,3-c]pyridine derivatives as potent and peripherally selective cannabinoid-1 (CB1) receptor inverse agonists.EBI
Bioorg Med Chem Lett 26: 5597-5601 (2016)
Janssen Research and Development
Identification and optimization of a new series of anti-tubercular quinazolinones.EBI
Bioorg Med Chem Lett 26: 5290-5299 (2016)
Sanofi R & D
Tetrahydroindazole derivatives as potent and peripherally selective cannabinoid-1 (CB1) receptor inverse agonists.EBI
Bioorg Med Chem Lett 26: 5346-5349 (2016)
Janssen Research and Development
Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.EBI
Bioorg Med Chem 24: 5534-5545 (2016)
Merck Research Laboratories
Discovery of a novel chimeric ubenimex-gemcitabine with potent oral antitumor activity.EBI
Bioorg Med Chem 24: 5787-5795 (2016)
Shandong University
Guttiferone A Aggregates Modulate Silent Information Regulator 1 (SIRT1) Activity.EBI
J Med Chem 59: 9560-9566 (2016)
University of Paris
Novel 1,3,4-oxadiazole/oxime hybrids: Synthesis, docking studies and investigation of anti-inflammatory, ulcerogenic liability and analgesic activities.BDB
Bioorg Chem 69: 48-63 (2016)
Minia University
Molecular docking studies and biological evaluation of 1,3,4-thiadiazole derivatives bearing Schiff base moieties as tyrosinase inhibitors.BDB
Bioorg Chem 69: 29-36 (2016)
Shaoyang University
Evaluation of the anti-malarial activity and cytotoxicity of 2,4-diamino-pyrimidine-based kinase inhibitors.EBI
Eur J Med Chem 124: 896-905 (2016)
Kasetsart University
Small-Molecule Chemical Probe Rescues Cells from Mono-ADP-Ribosyltransferase ARTD10/PARP10-Induced Apoptosis and Sensitizes Cancer Cells to DNA Damage.BDB
Cell Chem Biol 23: 1251-1260 (2016)
University of Oulu
Pterin-7-carboxamides as a new class of aldose reductase inhibitors.EBI
Bioorg Med Chem Lett 26: 4870-4874 (2016)
Toho University
Rapid synthesis of flavone-based monoamine oxidase (MAO) inhibitors targeting two active sites using click chemistry.BDB
Chem Biol Drug Des 89: 141-151 (2017)
Zhejiang University of Technology
Design and synthesis of novel HDAC8 inhibitory 2,5-disubstituted-1,3,4-oxadiazoles containing glycine and alanine hybrids with anti cancer activity.EBI
Bioorg Med Chem 24: 5611-5617 (2016)
Acharya Nagarjuna University
Development of 6-arylcoumarins as nonsteroidal progesterone antagonists. Structure-activity relationships and fluorescence properties.EBI
Bioorg Med Chem 24: 5602-5610 (2016)
Ochanomizu University
Design, synthesis, and structure-activity relationship of novel and effective apixaban derivatives as FXa inhibitors containing 1,2,4-triazole/pyrrole derivatives as P2 binding element.EBI
Bioorg Med Chem 24: 5646-5661 (2016)
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)
2-Heteroarylidene-1-indanone derivatives as inhibitors of monoamine oxidase.BDB
Bioorg Chem 69: 20-28 (2016)
North-West University
The replacement of the 2-methoxy substituent of N-((6,6-diphenyl-1,4-dioxan-2-yl)methyl)-2-(2-methoxyphenoxy)ethan-1-amine improves the selectivity for 5-HTEBI
Eur J Med Chem 125: 233-244 (2017)
Universit£
Design, synthesis and evaluation of novel 2-amino-3-(naphth-2-yl)propanoic acid derivatives as potent inhibitors of platelet aggregation.EBI
Eur J Med Chem 125: 197-209 (2017)
China Pharmaceutical University
Structure-activity relationship (SAR) study and design strategies of nitrogen-containing heterocyclic moieties for their anticancer activities.EBI
Eur J Med Chem 125: 143-189 (2017)
Hamdard University
Discovery of Orally Efficacious Phosphoinositide 3-Kinase ? Inhibitors with Improved Metabolic Stability.EBI
J Med Chem 59: 9228-9242 (2016)
Gilead Sciences
T-3364366 Targets the Desaturase Domain of Delta-5 Desaturase with Nanomolar Potency and a Multihour Residence Time.EBI
ACS Med Chem Lett 7: 868-72 (2016)
Takeda Pharmaceutical
Discovery of a Selective Phosphoinositide-3-Kinase (PI3K)-┐ Inhibitor (IPI-549) as an Immuno-Oncology Clinical Candidate.EBI
ACS Med Chem Lett 7: 862-7 (2016)
Infinity Pharmaceuticals
Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.EBI
ACS Med Chem Lett 7: 857-61 (2016)
Lilly Research Laboratories
Diversity-Oriented Synthesis as a Strategy for Fragment Evolution against GSK3▀.EBI
ACS Med Chem Lett 7: 852-6 (2016)
Institute of Harvard and Mit
Cellular Activity of New Small Molecule Protein Arginine Deiminase 3 (PAD3) Inhibitors.EBI
ACS Med Chem Lett 7: 847-51 (2016)
Yale University
Modifications of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor To Achieve High Plasma Stability.EBI
ACS Med Chem Lett 7: 841-6 (2016)
The Scripps Research Institute
Polar Recognition Group Study of Keap1-Nrf2 Protein-Protein Interaction Inhibitors.EBI
ACS Med Chem Lett 7: 835-40 (2016)
China Pharmaceutical University
Discovery of 5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine as a Potent I Kur Inhibitor.EBI
ACS Med Chem Lett 7: 831-4 (2016)
Bristol-Myers Squibb
PPAR Agonists, Compounds, Pharmaceutical Compositions, and Methods of Use Thereof.EBI
ACS Med Chem Lett 7: 824-5 (2016)
Temple University
Treatment of Pain with Spirocylic Cyclohexane Derivatives Having Dual Specificity for ORL-1 and ?-Opioid Receptors.EBI
ACS Med Chem Lett 7: 822-3 (2016)
Dart Neuroscience
Overview of the SAMPL5 host-guest challenge: Are we doing better?BDB
J Comput Aided Mol Des 31: 1-19 (2016)
University of California San Diego
8-Substituted 1,3-dimethyltetrahydropyrazino[2,1-f]purinediones: Water-soluble adenosine receptor antagonists and monoamine oxidase B inhibitors.EBI
Bioorg Med Chem 24: 5462-5480 (2016)
University of Bonn
Advances in rationally designed dual inhibitors of HIV-1 reverse transcriptase and integrase.EBI
Bioorg Med Chem 24: 5007-5016 (2016)
Wuhan Institute of Technology
Synthesis of phenylpiperazine derivatives of 1,4-benzodioxan as selective COX-2 inhibitors and anti-inflammatory agents.EBI
Bioorg Med Chem 24: 5626-5632 (2016)
Shandong University of Technology
New inhibitors of tyrosyl-DNA phosphodiesterase I (Tdp 1) combining 7-hydroxycoumarin and monoterpenoid moieties.EBI
Bioorg Med Chem 24: 5573-5581 (2016)
Siberian Branch of The Russian Academy of Sciences
Arylsulfonamide derivatives of (aryloxy)ethyl pyrrolidines and piperidines asaEBI
Bioorg Med Chem 24: 5582-5591 (2016)
Jagiellonian University Medical College
Design, synthesis, and biological characterization of novel PEG-linked dimeric modulators for CXCR4.EBI
Bioorg Med Chem 24: 5393-5399 (2016)
Upstate Medical University
Fluoro analogs of bioactive oxy-sterols: Synthesis of an EBI2 agonist with enhanced metabolic stability.EBI
Bioorg Med Chem Lett 26: 4888-4891 (2016)
Janssen Research & Development
Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.EBI
Bioorg Med Chem Lett 26: 5092-5097 (2016)
F. Hoffmann-La Roche
Designed Small-Molecule Inhibitors of the Anthranilyl-CoA Synthetase PqsA Block Quinolone Biosynthesis in Pseudomonas aeruginosa.BDB
ACS Chem Biol 11: 3061-3067 (2016)
East Carolina University
Synthesis and evaluation of new benzodioxole-based dithiocarbamate derivatives as potential anticancer agents and hCA-I and hCA-II inhibitors.EBI
Eur J Med Chem 125: 190-196 (2017)
Anadolu University
Targeting telomerase with radiolabeled inhibitors.EBI
Eur J Med Chem 125: 117-129 (2017)
University of Oxford
Synthesis and biological evaluation of a series of N-alkylated imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.EBI
Eur J Med Chem 124: 852-880 (2016)
Ludwig-Maximilians-Universit£T M£Nchen
Discovery of 3?,7?,11?-Trihydroxy-6?-ethyl-5?-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.EBI
J Med Chem 59: 9201-9214 (2016)
Tes Pharma
Thermodynamic properties of leukotriene AEBI
Bioorg Med Chem 24: 5243-5248 (2016)
Goethe-University Frankfurt
Synthesis of a selective HDAC6 inhibitor active in neuroblasts.EBI
Bioorg Med Chem Lett 26: 4955-4959 (2016)
University of Geneva
Design and synthesis of triarylacrylonitrile analogues of tamoxifen with improved binding selectivity to protein kinase C.EBI
Bioorg Med Chem 24: 5495-5504 (2016)
University of Michigan
Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.EBI
Bioorg Med Chem 24: 5380-5387 (2016)
University of California Santa Cruz
Exploration of substituted arylpiperazine-tetrazoles as promising dual norepinephrine and dopamine reuptake inhibitors.EBI
Bioorg Med Chem 24: 5546-5555 (2016)
Chonnam National University
A new Suzuki synthesis of triphenylethylenes that inhibit aromatase and bind to estrogen receptorsa and▀.EBI
Bioorg Med Chem 24: 5400-5409 (2016)
Purdue University
Free fatty acid receptor 1 (GPR40) agonists containing spirocyclic periphery inspired by LY2881835.EBI
Bioorg Med Chem 24: 5481-5494 (2016)
Saint Petersburg State University
Class II Phosphoinositide 3-Kinases as Novel Drug Targets.EBI
J Med Chem 60: 47-65 (2017)
Curtin University
Identification of Ligand Binding Hot Spots of the Histamine HEBI
J Med Chem 59: 9047-9061 (2016)
Vrije Universiteit Amsterdam
[1,2]Oxazolo[5,4-e]isoindoles as promising tubulin polymerization inhibitors.EBI
Eur J Med Chem 124: 840-851 (2016)
Universit£
Further investigation of inhibitors of MRSA pyruvate kinase: Towards the conception of novel antimicrobial agents.EBI
Eur J Med Chem 125: 1-13 (2017)
Simon Fraser University
Investigation of the structure activity relationship of flufenamic acid derivatives at the human TRESK channel KEBI
Bioorg Med Chem Lett 26: 4919-4924 (2016)
Pfizer
Discovery of anabaenopeptin 679 from freshwater algal bloom material: Insights into the structure-activity relationship of anabaenopeptin protease inhibitors.EBI
Bioorg Med Chem Lett 26: 4960-4965 (2016)
University of California Santa Cruz
Design and synthesis of chiral 2H-chromene-N-imidazolo-amino acid conjugates as aldose reductase inhibitors.EBI
Eur J Med Chem 124: 750-762 (2016)
Osmania University
Benzophenone-nucleoside derivatives as telomerase inhibitors: Design, synthesis and anticancer evaluation in vitro and in vivo.EBI
NA
Anhui Medical University
Synthesis and biological evaluation of new 6-hydroxypyridazinone benzisoxazoles: Potential multi-receptor-targeting atypical antipsychotics.EBI
Eur J Med Chem 124: 713-728 (2016)
Huazhong University of Science and Technology
Synthesis and biological evaluation of novel hybrids of highly potent and selectivea4▀2-Nicotinic acetylcholine receptor (nAChR) partial agonists.EBI
Eur J Med Chem 124: 689-697 (2016)
University of Illinois At Chicago
Discovery of novel 2',4'-dimethyl-[4,5'-bithiazol]-2-yl amino derivatives as orally bioavailable TRPV4 antagonists for the treatment of pain: Part 1.EBI
Bioorg Med Chem Lett 26: 4930-4935 (2016)
Shionogi
▀-Sulfonamido Functionalized Aspartate Analogues as Excitatory Amino Acid Transporter Inhibitors: Distinct Subtype Selectivity Profiles Arising from Subtle Structural Differences.EBI
J Med Chem 59: 8771-8786 (2016)
University of Copenhagen
Synthesis and biological evaluation of azole-diphenylpyrimidine derivatives (AzDPPYs) as potent T790M mutant form of epidermal growth factor receptor inhibitors.EBI
Bioorg Med Chem 24: 5505-5512 (2016)
Dalian Medical University
Discovery of novel 2',4'-dimethyl-[4,5'-bithiazol]-2-yl amino derivatives as orally bioavailable TRPV4 antagonists for the treatment of pain: Part 2.EBI
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Shionogi
Discovery of a Quinoline-4-carboxamide Derivative with a Novel Mechanism of Action, Multistage Antimalarial Activity, and Potent in Vivo Efficacy.EBI
J Med Chem 59: 9672-9685 (2016)
University of Dundee
Identification of a New Class of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitors Followed by a Structure-Activity Relationship Study.EBI
J Med Chem 59: 8757-8770 (2016)
University of Copenhagen
Synthesis of (benzimidazol-2-yl)aniline derivatives as glycogen phosphorylase inhibitors.EBI
Bioorg Med Chem 24: 5423-5430 (2016)
Egypt National Research Centre
Synthesis, molecular modeling and SAR study of novel pyrazolo[5,1-f][1,6]naphthyridines as CBEBI
Bioorg Med Chem 24: 5291-5301 (2016)
Universit£
Molecular docking studies, biological and toxicity evaluation of dihydroisoquinoline derivatives as potential anticancer agents.EBI
Bioorg Med Chem 24: 5302-5314 (2016)
National Institute of Public Health-National Institute of Hygiene
An LP1 analogue, selective MOR agonist with a peculiar pharmacological profile, used to scrutiny the ligand binding domain.EBI
Bioorg Med Chem 24: 5280-5290 (2016)
University of Catania
LAT1 activity of carboxylic acid bioisosteres: Evaluation of hydroxamic acids as substrates.EBI
Bioorg Med Chem Lett 26: 5000-5006 (2016)
University of California San Francisco
Design and synthesis of curcumin derivatives as tau and amyloid▀ dual aggregation inhibitors.EBI
Bioorg Med Chem Lett 26: 5024-5028 (2016)
Doshisha University
Application of oxime-diversification to optimize ligand interactions within a cryptic pocket of the polo-like kinase 1 polo-box domain.EBI
Bioorg Med Chem Lett 26: 5009-5012 (2016)
National Cancer Institute-Frederick
Synthesis and bioactivity of novel isoxazole chalcone derivatives on tyrosinase and melanin synthesis in murine B16 cells for the treatment of vitiligo.EBI
Bioorg Med Chem 24: 5440-5448 (2016)
Chinese Academy of Sciences
Structure-activity relationship studies of non-carboxylic acid peroxisome proliferator-activated receptor ?/? (PPAR?/?) dual agonists.EBI
Bioorg Med Chem 24: 5455-5461 (2016)
The University of Tokyo
Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities.EBI
Bioorg Med Chem 24: 5315-5325 (2016)
Universit£
Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.BDB
ACS Chem Biol 11: 3084-3092 (2016)
University of Kentucky
Pyrazole-based potent inhibitors of GGT1: Synthesis, biological evaluation, and molecular docking studies.EBI
Eur J Med Chem 124: 666-676 (2016)
King Fahd University of Petroleum and Minerals
A Novel Parkinson's Disease Drug Candidate with Potent Anti-neuroinflammatory Effects through the Src Signaling Pathway.EBI
J Med Chem 59: 9062-9079 (2016)
Chinese Academy of Medical Sciences and Peking Union Medical College
Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.EBI
J Med Chem 59: 8787-8803 (2016)
University of Athens
Synthesis, in vitro evaluation and molecular docking studies of novel coumarin-isatin derivatives as a-glucosidase inhibitors.BDB
Chem Biol Drug Des 89: 456-463 (2017)
Jishou University
Synthesis and biological evaluation of santacruzamate A analogues for anti-proliferative and immunomodulatory activity.EBI
Bioorg Med Chem 24: 5183-5196 (2016)
University of Connecticut
Synthesis and biological evaluation of new aryl-alkyl(alkenyl)-4-benzylpiperidines, novel Sigma Receptor (SR) modulators, as potential anticancer-agents.EBI
Eur J Med Chem 124: 649-665 (2016)
University of Pavia
Synthesis and evaluation of xanthine oxidase inhibitory and antioxidant activities of 2-arylbenzo[b]furan derivatives based on salvianolic acid C.EBI
Eur J Med Chem 124: 637-648 (2016)
China Pharmaceutical University
Balancing potency, metabolic stability and permeability in pyrrolopyrimidine-based EGFR inhibitors.EBI
Eur J Med Chem 124: 583-607 (2016)
Norwegian University of Science and Technology (Ntnu)
Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.EBI
Bioorg Med Chem Lett 26: 5051-5057 (2016)
Bristol-Myers Squibb Research & Development
Discovery of an Orally Bioavailable Gonadotropin-Releasing Hormone Receptor Antagonist.EBI
J Med Chem 59: 9150-9172 (2016)
Sk Chemicals
Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.BDB
Biochemistry 55: 5587-5594 (2016)
University of California Irvine
Nucleoside Derived Antibiotics to Fight Microbial Drug Resistance: New Utilities for an Established Class of Drugs?EBI
NA
Cardiff University
Versatile Picklocks To Access All Opioid Receptors: Tuning the Selectivity and Functional Profile of the Cyclotetrapeptide c[Phe-d-Pro-Phe-Trp] (CJ-15,208).EBI
J Med Chem 59: 9255-9261 (2016)
University of Bologna
Discovery and Optimization of 1-Phenoxy-2-aminoindanes as Potent, Selective, and Orally Bioavailable Inhibitors of the NaEBI
J Med Chem 59: 8812-8829 (2016)
Sanofi-Aventis Deutschland
Optimization and Structure-Activity Relationships of Phosphinic Pseudotripeptide Inhibitors of Aminopeptidases That Generate Antigenic Peptides.EBI
J Med Chem 59: 9107-9123 (2016)
National and Kapodistrian University of Athens
Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease.EBI
J Med Chem 59: 8967-9004 (2016)
University of Navarra
Investigating the Reaction Mechanism of F420-Dependent Glucose-6-phosphate Dehydrogenase from Mycobacterium tuberculosis: Kinetic Analysis of the Wild-Type and Mutant Enzymes.BDB
Biochemistry 55: 5566-5577 (2016)
The University of Texas At Arlington
Identification of indole scaffold-based dual inhibitors of NOD1 and NOD2.EBI
Bioorg Med Chem 24: 5221-5234 (2016)
University of Ljubljana
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.EBI
Bioorg Med Chem Lett 26: 5044-5050 (2016)
Vitae Pharmaceuticals
Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes.EBI
J Med Chem 59: 9409-9421 (2016)
Ume£
Design and Synthesis of Potent Quinazolines as Selective▀-Glucocerebrosidase Modulators.EBI
J Med Chem 59: 8508-20 (2016)
Northwestern University Feinberg School of Medicine
Hybrid molecules: The privileged scaffolds for various pharmaceuticals.EBI
NA
Guru Nanak Dev University
High-affinity small molecular blockers of mixed lineage leukemia 1 (MLL1)-WDR5 interaction inhibit MLL1 complex H3K4 methyltransferase activity.EBI
Eur J Med Chem 124: 480-489 (2016)
China Pharmaceutical University
Design, synthesis, and biological evaluation of fluorinated imidazo[1,2-a]pyridine derivatives with potential antipsychotic activity.EBI
Eur J Med Chem 124: 456-467 (2016)
Jagiellonian University Medical College
Neurodegenerative diseases linked to misfolded proteins and their therapeutic approaches: A review.EBI
Eur J Med Chem 124: 1121-1141 (2016)
Aligarh Muslim University
Inhibition of the enzymes in the leukotriene and prostaglandin pathways in inflammation by 3-aryl isocoumarins.EBI
Eur J Med Chem 124: 428-434 (2016)
Bhupat and Jyoti Mehta School of Biosciences
Synthesis, antiamoebic and molecular docking studies of furan-thiazolidinone hybrids.EBI
Eur J Med Chem 124: 393-406 (2016)
Jamia Millia Islamia
Development of highly potent phosphodiesterase 4 inhibitors with anti-neuroinflammation potential: Design, synthesis, and structure-activity relationship study of catecholamides bearing aromatic rings.EBI
Eur J Med Chem 124: 372-379 (2016)
Southern Medical University
Bis(indolyl)phenylmethane derivatives are effective small molecules for inhibition of amyloid fibril formation by hen lysozyme.EBI
Eur J Med Chem 124: 361-371 (2016)
Payam Noor University
Pyrazolodiazepine derivatives with agonist activity toward Drosophila RYamide receptor.EBI
Bioorg Med Chem Lett 26: 5116-5118 (2016)
Gwangju Institute of Science and Technology
Design, synthesis and in vitro evaluation of amidoximes as histone deacetylase inhibitors for cancer therapy.EBI
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Qilu Normal University
Benzo[b]thiophene-2-carboxamide derivatives as potent urotensin-II receptor antagonists.EBI
Bioorg Med Chem Lett 26: 4684-4686 (2016)
Korea Research Institute of Chemical Technology
Focused screening to identify new adenosine kinase inhibitors.EBI
Bioorg Med Chem 24: 5127-5133 (2016)
University of Bonn
The discovery and preclinical characterization of 6-chloro-N-(2-(4,4-difluoropiperidin-1-yl)-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethyl)quinoline-5-carboxamide based P2X7 antagonists.EBI
Bioorg Med Chem Lett 26: 4781-4784 (2016)
Janssen Research and Development
Small-molecule WNK inhibition regulates cardiovascular and renal function.BDB
Nat Chem Biol 12: 896-898 (2016)
Novartis Institutes
Inhibition of Mcl-1 through covalent modification of a noncatalytic lysine side chain.BDB
Nat Chem Biol 12: 931-936 (2016)
Oncology Innovative Medicines Unit
Synthesis and activity evaluation of the cyclic dipeptides arylidene N-alkoxydiketopiperazines.EBI
Bioorg Med Chem 24: 5197-5205 (2016)
Hebei University of Science & Technology
Design and optimization of (3-aryl-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-ones as potent PLK4 inhibitors with oral antitumor efficacy.EBI
Bioorg Med Chem Lett 26: 4625-4630 (2016)
Entremed
Modeling, Synthesis, and Biological Evaluation of Potential Retinoid X Receptor (RXR)-Selective Agonists: Analogues of 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic Acid (Bexarotene) and 6-(Ethyl(5,5,8,8-tetrahydronaphthalen-2-yl)amino)nicotinic Acid (NEt-TMN).EBI
J Med Chem 59: 8924-8940 (2016)
Arizona State University
Synthesis and Enantiomeric Separation of a Novel Spiroketal Derivative: A Potent Human Telomerase Inhibitor with High in Vitro Anticancer Activity.EBI
J Med Chem 59: 9140-9149 (2016)
Istituto Di Farmacologia Traslazionale
New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors.EBI
Eur J Med Chem 124: 270-283 (2016)
Gaziantep University
Identification of acylthiourea derivatives as potent Plk1 PBD inhibitors.EBI
Eur J Med Chem 124: 229-236 (2016)
Peking University
Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.EBI
NA
University of Nottingham
Novel multifunctional dopamine DEBI
Bioorg Med Chem 24: 5088-5102 (2016)
Wayne State University
Development, synthesis and structure-activity-relationships of inhibitors of the macrophage infectivity potentiator (Mip) proteins of Legionella pneumophila and Burkholderia pseudomallei.EBI
Bioorg Med Chem 24: 5134-5147 (2016)
University of W£Rzburg
Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents.EBI
Bioorg Med Chem 24: 5162-5171 (2016)
University of Barcelona
Synthesis and evaluation of 6-pyrazoylamido-3N-substituted azabicyclo[3,1,0]hexane derivatives as T-type calcium channel inhibitors for treatment of neuropathic pain.EBI
Bioorg Med Chem 24: 5028-5035 (2016)
Korea Institute of Science & Technology (Kist)
Discovery of N-(1-(3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl)ethyl)acetamides as novel acetyl-CoA carboxylase 2 (ACC2) inhibitors with peroxisome proliferator-activated receptora/d (PPARa/d) dual agonistic activity.EBI
Bioorg Med Chem 24: 5258-5269 (2016)
The University of Tokyo
Design and Synthesis of an Investigational Nonapeptide KISS1 Receptor (KISS1R) Agonist, Ac-d-Tyr-Hydroxyproline (Hyp)-Asn-Thr-Phe-azaGly-Leu-Arg(Me)-Trp-NHEBI
J Med Chem 59: 8804-8811 (2016)
Takeda Pharmaceutical
Synthesis and biological evaluation of novel dasatinib analogues as potent DDR1 and DDR2 kinase inhibitors.BDB
Chem Biol Drug Des 89: 420-427 (2017)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences
Isonicotinohydrazones as inhibitors of alkaline phosphatase and ecto-5'-nucleotidase.BDB
Chem Biol Drug Des 89: 365-370 (2017)
Quaid-I-Azam University
Inhibition of the Flavin-Dependent Monooxygenase Siderophore A (SidA) Blocks Siderophore Biosynthesis and Aspergillus fumigatus Growth.BDB
ACS Chem Biol 11: 3035-3042 (2016)
Virginia Tech
Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.BDB
ACS Chem Biol 11: 3052-3060 (2016)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine
Discovery of a Potent, Selective, and Cell-Active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6.EBI
J Med Chem 59: 9124-9139 (2016)
Icahn School of Medicine At Mount Sinai
Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two LockeEBI
J Med Chem 59: 9173-9200 (2016)
Bristol-Myers Squibb Research and Development
Design, synthesis and biological evaluation of dihydroquinoxalinone derivatives as BRD4 inhibitors.BDB
Bioorg Chem 68: 236-44 (2016)
China Pharmaceutical University
Discovery of 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 Receptor Positive Allosteric Modulator (PAM).EBI
J Med Chem 59: 8495-507 (2016)
Janssen Pharmaceutica
Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium Channel Blockers.EBI
J Med Chem 59: 8398-411 (2016)
Actelion Pharmaceuticals
Dual action Smac mimetics-zinc chelators as pro-apoptotic antitumoral agents.EBI
Bioorg Med Chem Lett 26: 4613-4619 (2016)
Istituto Di Scienze E Tecnologie Molecolari (Istm)
Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.EBI
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Glaxosmithkline R&D
2-Benzylidene-1-indanone derivatives as inhibitors of monoamine oxidase.EBI
Bioorg Med Chem Lett 26: 4599-4605 (2016)
North-West University
Synthesis and evaluation of 2,5 and 2,6 pyridine-based CXCR4 inhibitors.EBI
Bioorg Med Chem 24: 5052-5060 (2016)
Georgia State University
Potent selective monoamine oxidase B inhibition by maackiain, a pterocarpan from the roots of Sophora flavescens.EBI
Bioorg Med Chem Lett 26: 4714-4719 (2016)
Sunchon National University
Increasing metabolic stability via the deuterium kinetic isotope effect: An example from a proline-amide-urea aminothiazole series of phosphatidylinositol-3 kinase alpha inhibitors.EBI
Bioorg Med Chem Lett 26: 4729-4734 (2016)
Novartis Institutes For Biomedical Research
Optimization of the choline transporter (CHT) inhibitor ML352: Development of VU6001221, an improved in vivo tool compound.EBI
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Vanderbilt University Medical Center
Discovery of novel inhibitors of Aurora kinases with indazole scaffold: In silico fragment-based and knowledge-based drug design.EBI
Eur J Med Chem 124: 186-199 (2016)
Taiwan National Health Research Institutes
A simple and efficient synthesis of novel inhibitors of alpha-glucosidase based on benzimidazole skeleton and molecular docking studies.BDB
Bioorg Chem 68: 226-35 (2016)
Recep Tayyip Erdogan University
Structure-Activity Relationships and Kinetic Studies of Peptidic Antagonists of CBX Chromodomains.EBI
J Med Chem 59: 8913-8923 (2016)
University of North Carolina At Chapel Hill
Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.EBI
J Med Chem 59: 8369-80 (2016)
Second University of Naples
Non-Acidic Free Fatty Acid Receptor 4 Agonists with Antidiabetic Activity.EBI
J Med Chem 59: 8868-8878 (2016)
University of Southern Denmark
A Rapid and Efficient Assay for the Characterization of Substrates and Inhibitors of Nicotinamide N-Methyltransferase.BDB
Biochemistry 55: 5307-15 (2016)
Utrecht University
Bioactive diterpenoids from Trigonostemon chinensis: Structures, NO inhibitory activities, and interactions with iNOS.EBI
Bioorg Med Chem Lett 26: 4785-4789 (2016)
Nankai University
Mycobacterium Tuberculosis (MTB) GyrB inhibitors: An attractive approach for developing novel drugs against TB.EBI
Eur J Med Chem 124: 160-185 (2016)
R. C. Patel Institute of Pharmaceutical Education and Research
New telmisartan-derived PPAR┐ agonists: Impact of the 3D-binding mode on the pharmacological profile.EBI
Eur J Med Chem 124: 138-152 (2016)
Universit£T Innsbruck
Indole-based allosteric inhibitors of HIV-1 integrase.EBI
Bioorg Med Chem Lett 26: 4748-4752 (2016)
The Ohio State University
Structure-activity relationship of novel series of 1,5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular docking studies.EBI
Bioorg Med Chem Lett 26: 4757-4762 (2016)
American University of Madaba
Structural determinants of diphenethylamines for interaction with the┐ opioid receptor: Synthesis, pharmacology and molecular modeling studies.EBI
Bioorg Med Chem Lett 26: 4769-4774 (2016)
University of Innsbruck
Discovery of a 7-arylaminobenzimidazole series as novel CRF1 receptor antagonists.EBI
Bioorg Med Chem 24: 4675-4691 (2016)
Takeda Pharmaceutical
Towards the PET radiotracer for p75 neurotrophin receptor: [(11)C]LM11A-24 shows biological activity in vitro, but unfavorable ex vivo and in vivo profile.EBI
Bioorg Med Chem 24: 4759-4765 (2016)
University of British Columbia
Synthesis and aromatase inhibitory evaluation of 4-N-nitrophenyl substituted amino-4H-1,2,4-triazole derivatives.EBI
Bioorg Med Chem 24: 4723-4730 (2016)
Key Laboratory of Industrial Fermentation Microbiology (Tianjin University of Science & Technology)
Novel small molecule binders of human N-glycanase 1, a key player in the endoplasmic reticulum associated degradation pathway.EBI
Bioorg Med Chem 24: 4750-4758 (2016)
Georgia Institute of Technology
Synthesis, biological evaluation, and molecular docking studies of new pyrazol-3-one derivatives with aromatase inhibition activities.BDB
Chem Biol Drug Des 88: 832-843 (2016)
Yueyang Vocational Technical College
Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.EBI
NA
Charles River Laboratories
Discovery of a Potent Acyclic, Tripeptidic, Acyl Sulfonamide Inhibitor of Hepatitis C Virus NS3 Protease as a Back-up to Asunaprevir with the Potential for Once-Daily Dosing.EBI
J Med Chem 59: 8042-60 (2016)
Bristol-Myers Squibb Research and Development
Synthesis and Antiobesity Properties of 6-(4-Chlorophenyl)-3-(4-((3,3-difluoro-1-hydroxycyclobutyl)methoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one (BMS-814580): A Highly Efficacious Melanin Concentrating Hormone Receptor 1 (MCHR1) Inhibitor.EBI
J Med Chem 59: 8848-8858 (2016)
Bristol-Myers Squibb Research & Development
1,2,4-Triazolyl 5-Azaspiro[2.4]heptanes: Lead Identification and Early Lead Optimization of a New Series of Potent and Selective Dopamine D3 Receptor Antagonists.EBI
J Med Chem 59: 8549-76 (2016)
Aptuit
Discovery of Fluoromethylketone-Based Peptidomimetics as Covalent ATG4B (Autophagin-1) Inhibitors.EBI
ACS Med Chem Lett 7: 802-6 (2016)
Roche Pharma Research and Early Development
Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs.EBI
ACS Med Chem Lett 7: 797-801 (2016)
Boehringer Ingelheim (Canada)
Small Molecule Antagonists of the Nuclear Androgen Receptor for the Treatment of Castration-Resistant Prostate Cancer.EBI
ACS Med Chem Lett 7: 785-90 (2016)
University of Pittsburgh
Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.EBI
ACS Med Chem Lett 7: 780-4 (2016)
University of Minnesota
Selective AKR1C3 Inhibitors Potentiate Chemotherapeutic Activity in Multiple Acute Myeloid Leukemia (AML) Cell Lines.EBI
ACS Med Chem Lett 7: 774-9 (2016)
Texas Tech University Health Sciences Center
CZ415, a Highly Selective mTOR Inhibitor Showing in Vivo Efficacy in a Collagen Induced Arthritis Model.EBI
ACS Med Chem Lett 7: 768-73 (2016)
Cellzome
Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.EBI
ACS Med Chem Lett 7: 762-7 (2016)
Novartis Institutes For Biomedical Research
Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.EBI
ACS Med Chem Lett 7: 735-40 (2016)
Novartis Institutes For Biomedical Research
Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.EBI
ACS Med Chem Lett 7: 730-4 (2016)
Novartis Institutes For Biomedical Research
Inhibitors of BRD4 as Potential Cancer Therapy.EBI
ACS Med Chem Lett 7: 728-9 (2016)
Therachem Research Medilab (India)
Targeting the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Protein for the Treatment of Cystic Fibrosis.EBI
ACS Med Chem Lett 7: 725-7 (2016)
Therachem Research Medilab (India)
Novel tricyclic poly (ADP-ribose) polymerase-1/2 inhibitors with potent anticancer chemopotentiating activity: Design, synthesis and biological evaluation.EBI
Bioorg Med Chem 24: 4731-4740 (2016)
China Pharmaceutical University
Development of single and mixed isoform selectivity PI3K? inhibitors by targeting Asn836 of PI3K?.EBI
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Monash University
Discovery of novel xanthine compounds targeting DPP-IV and GPR119 as anti-diabetic agents.EBI
Eur J Med Chem 124: 103-116 (2016)
Institute of Materia Medica
Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HTEBI
Eur J Med Chem 124: 63-81 (2016)
Jagiellonian University Collegium Medicum
Evaluation of selected 3D virtual screening tools for the prospective identification of peroxisome proliferator-activated receptor (PPAR)┐ partial agonists.EBI
Eur J Med Chem 124: 49-62 (2016)
University of Innsbruck
Substituted 4-morpholine N-arylsulfonamides as┐-secretase inhibitors.EBI
Eur J Med Chem 124: 36-48 (2016)
Merck Research Laboratories
Synthesis, binding assays, cytotoxic activity and docking studies of benzimidazole and benzothiophene derivatives with selective affinity for the CB2 cannabinoid receptor.EBI
Eur J Med Chem 124: 17-35 (2016)
Pontificia Universidad Cat£Lica De Chile
Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine ?-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.EBI
J Med Chem 59: 8593-600 (2016)
Bristol-Myers Squibb
Dual Kinase-Bromodomain Inhibitors in Anticancer Drug Discovery: A Structural and Pharmacological Perspective.EBI
NA
University of Modena and Reggio Emilia
Synthesis and Biological Evaluation of N-((1-(4-(Sulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide Inhibitors of Glycine Transporter-1.EBI
J Med Chem 59: 8473-94 (2016)
Amri
Mitragynine/Corynantheidine Pseudoindoxyls As Opioid Analgesics with Mu Agonism and Delta Antagonism, Which Do Not Recruit ?-Arrestin-2.EBI
J Med Chem 59: 8381-97 (2016)
Memorial Sloan Kettering Cancer Center
The discovery of 2,5-isomers of triazole-pyrrolopyrimidine as selective Janus kinase 2 (JAK2) inhibitors versus JAK1 and JAK3.EBI
Bioorg Med Chem 24: 5036-5046 (2016)
Gwangju Institute of Science and Technology (Gist)
Identification of a benzo imidazole thiazole derivative as the specific irreversible inhibitor of protein tyrosine phosphatase.EBI
Bioorg Med Chem Lett 26: 4795-4798 (2016)
Shandong University
Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.EBI
Bioorg Med Chem Lett 26: 4824-4828 (2016)
Eli Lilly
Synthesis, biological evaluation and molecular modeling study of some new methoxylated 2-benzylthio-quinazoline-4(3H)-ones as nonclassical antifolates.EBI
Bioorg Med Chem Lett 26: 4815-4823 (2016)
Mansoura University
Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents.EBI
J Med Chem 59: 8326-44 (2016)
East China University of Science and Technology
FABP1: A Novel Hepatic Endocannabinoid and Cannabinoid Binding Protein.BDB
Biochemistry 55: 5243-55 (2016)
Avanti Polar Lipids
Mansoins C-F, Oligomeric Flavonoid Glucosides Isolated from Mansoa hirsuta Fruits with Potential Anti-inflammatory Activity.EBI
J Nat Prod 79: 2279-86 (2016)
University of Mississippi
Identification of (R)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyridin-2-yl)-4-methyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone (JNJ 54166060), a Small Molecule Antagonist of the P2X7 receptor.EBI
J Med Chem 59: 8535-48 (2016)
Janssen Research and Development
Non-Substrate Based, Small Molecule Inhibitors of the Human Isoprenylcysteine Carboxyl Methyltransferase.EBI
Medchemcomm 7: 1016-1021 (2016)
Icahn School of Medicine At Mount Sinai
Pharmacophore Model To Discover OX1 and OX2 Orexin Receptor Ligands.EBI
J Med Chem 59: 8263-75 (2016)
University of Helsinki
Challenges of docking in large, flexible and promiscuous binding sites.EBI
Bioorg Med Chem 24: 4961-4969 (2016)
The Barcelona Institute For Research In Biomedicine (Irb Barcelona)
Discovery of N-((1-(4-(3-(3-((6,7-Dimethoxyquinolin-3-yl)oxy)phenyl)ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)methyl)propionamide (CHMFL-KIT-8140) as a Highly Potent Type II Inhibitor Capable of Inhibiting the T670I "Gatekeeper" Mutant of cKIT Kinase.EBI
J Med Chem 59: 8456-72 (2016)
High Magnetic Field Laboratory
Design, synthesis, and evaluation of 4,6-diaminonicotinamide derivatives as novel and potent immunomodulators targeting JAK3.EBI
Bioorg Med Chem 24: 4711-4722 (2016)
Astellas Pharma
Discovery and synthetic optimization of a novel scaffold for hydrophobic tunnel-targeted autotaxin inhibition.EBI
Bioorg Med Chem 24: 4660-4674 (2016)
University of Memphis
Synthesis and antitumor activity evaluation of 4,6-disubstituted quinazoline derivatives as novel PI3K inhibitors.EBI
Bioorg Med Chem Lett 26: 4408-4413 (2016)
Xi'An Jiaotong University
Coumarin-thiazole and -oxadiazole derivatives: Synthesis, bioactivity and docking studies for aldose/aldehyde reductase inhibitors.BDB
Bioorg Chem 68: 177-186 (2016)
Comsats Institute of Information Technology
Studies on the inhibition of sphingosine-1-phosphate lyase by stabilized reaction intermediates and stereodefined azido phosphates.EBI
Eur J Med Chem 123: 905-915 (2016)
Spanish National Research Council (Csic)
Oxindole: A chemical prism carrying plethora of therapeutic benefits.EBI
NA
Punjabi University
Synthesis and biological evaluation of novel flavanone derivatives as potential antipsychotic agents.BDB
Chem Biol Drug Des 89: 353-364 (2017)
Key Laboratory For Neurodegenerative Diseases of Ministry of Education
Design, synthesis, and anticonvulsant activity of some derivatives of xanthone with aminoalkanol moieties.BDB
Chem Biol Drug Des 89: 339-352 (2017)
Jagiellonian University Medical College
Identification of small molecule inhibitors of botulinum neurotoxin serotype E via footprint similarity.EBI
Bioorg Med Chem 24: 4875-4889 (2016)
Stony Brook University
A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CFEBI
Bioorg Med Chem 24: 4936-4948 (2016)
University of Oxford
Development of indole sulfonamides as cannabinoid receptor negative allosteric modulators.EBI
Bioorg Med Chem Lett 26: 4403-4407 (2016)
University of Aberdeen
Recent progress on nuclear receptor ROR? modulators.EBI
Bioorg Med Chem Lett 26: 4387-4393 (2016)
Genentech
Design, Synthesis, and Evaluation of Thiophene[3,2-d]pyrimidine Derivatives as HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors with Significantly Improved Drug Resistance Profiles.EBI
J Med Chem 59: 7991-8007 (2016)
Shandong University
Design and Synthesis of Janus Kinase 2 (JAK2) and Histone Deacetlyase (HDAC) Bispecific Inhibitors Based on Pacritinib and Evidence of Dual Pathway Inhibition in Hematological Cell Lines.EBI
J Med Chem 59: 8233-62 (2016)
National University of Singapore
Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.EBI
J Med Chem 59: 8345-68 (2016)
Genentech
Bridging computational modeling with amino acid replacements to investigate GHS-R1a-peptidomimetic recognition.EBI
Eur J Med Chem 123: 822-833 (2016)
Lawson Health Research Institute
Novel N-substituted indole Schiff bases as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase enzymes: Synthesis, biological activities inávitro and docking study.EBI
Eur J Med Chem 123: 803-813 (2016)
Beni-Suef University
Systemic optimization and structural evaluation of quinoline derivatives as transthyretin amyloidogenesis inhibitors.EBI
Eur J Med Chem 123: 777-787 (2016)
Chungnam National University
Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors.EBI
J Med Chem 59: 8941-8954 (2016)
University of Ljubljana
Characterization of MymA protein as a flavin-containing monooxygenase and as a target of isoniazid.BDB
Chem Biol Drug Des 89: 152-160 (2017)
Miranda House
Allosteric Modulation of Phosphatase Activity May Redefine Therapeutic Value.EBI
J Med Chem 59: 7771-2 (2016)
University of Pittsburgh
Novel bis-arylalkylamines as myeloperoxidase inhibitors: Design, synthesis, and structure-activity relationship study.EBI
Eur J Med Chem 123: 746-762 (2016)
Universit£
Drug Discovery against Psoriasis: Identification of a New Potent FMS-like Tyrosine Kinase 3 (FLT3) Inhibitor, 1-(4-((1H-Pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-3-fluorophenyl)-3-(5-(tert-butyl)isoxazol-3-yl)urea, That Showed Potent Activity in a Psoriatic Animal Model.EBI
J Med Chem 59: 8293-305 (2016)
Sichuan University/Collaborative Innovation Center of Biotherapy
Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).EBI
J Med Chem 59: 7915-35 (2016)
Bristol-Myers Squibb Research and Development
Synthesis and activity of benzimidazole-1,3-dioxide inhibitors of separase.EBI
Bioorg Med Chem Lett 26: 4446-4450 (2016)
University of Houston
Fulvestrant-3 Boronic Acid (ZB716): An Orally Bioavailable Selective Estrogen Receptor Downregulator (SERD).EBI
J Med Chem 59: 8134-40 (2016)
Xavier University of Louisiana
Design, synthesis, and protein methyltransferase activity of a unique set of constrained amine containing compounds.EBI
Bioorg Med Chem Lett 26: 4436-4440 (2016)
The Center For Combinatorial Chemistry and Drug Discovery of Jilin University
Piperazic acid derivatives inhibit Gli1 in Hedgehog signaling pathway.EBI
Bioorg Med Chem Lett 26: 4423-4426 (2016)
Indian Association For The Cultivation of Science
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).EBI
J Med Chem 59: 7801-17 (2016)
Astrazeneca
Discovery of Clinical Candidate CEP-37440, a Selective Inhibitor of Focal Adhesion Kinase (FAK) and Anaplastic Lymphoma Kinase (ALK).EBI
J Med Chem 59: 7478-96 (2016)
Teva Branded Pharmaceutical Products R & D
2-(4-Fluorophenyl)-quinazolin-4(3H)-one as a novel tyrosinase inhibitor: Synthesis, inhibitory activity, and mechanism.EBI
Bioorg Med Chem 24: 4620-4625 (2016)
Jiangxi Normal University
Structure-activity relationship of Garcinia xanthones analogues: Potent Hsp90 inhibitors with cytotoxicity and antiangiogenesis activity.EBI
Bioorg Med Chem 24: 4626-4635 (2016)
China Pharmaceutical University
Thrombospondin-1 Mimetic Agonist Peptides Induce Selective Death in Tumor Cells: Design, Synthesis, and Structure-Activity Relationship Studies.EBI
J Med Chem 59: 8412-21 (2016)
Sorbonne University
Design and synthesis of new potent PTP1B inhibitors with the skeleton of 2-substituted imino-3-substituted-5-heteroarylidene-1,3-thiazolidine-4-one: Part I.EBI
Eur J Med Chem 122: 756-769 (2016)
Xi'An Jiaotong University
Cellularly active N-hydroxyurea FEN1 inhibitors block substrate entry to the active site.BDB
Nat Chem Biol 12: 815-21 (2016)
University of Sheffield
1,2-Benzisoselenazol-3(2H)-one Derivatives As a New Class of Bacterial Urease Inhibitors.EBI
J Med Chem 59: 8125-33 (2016)
Wroclaw University of Technology
Discovery of oxa-sultams as RORc inverse agonists showing reduced lipophilicity, improved selectivity and favorable ADME properties.EBI
Bioorg Med Chem Lett 26: 4455-4461 (2016)
Genentech
Design, synthesis and biological evaluation of c-Met kinase inhibitors bearing 2-oxo-1,2-dihydroquinoline scaffold.EBI
Bioorg Med Chem Lett 26: 4483-4486 (2016)
Fudan University
Synthesis and in vitro evaluation of water-soluble 1,4-diphenethylpiperazine analogs as novel inhibitors of the vesicular monoamine transporter-2.EBI
Bioorg Med Chem Lett 26: 4441-4445 (2016)
University of Kentucky
Synthesis and biological evaluation of novel tricyclic oxazine and oxazepine fused quinazolines. Part 2: Gefitinib analogs.EBI
Bioorg Med Chem Lett 26: 4842-4845 (2016)
Jiangsu Aosaikang Pharmaceutical
Synthesis and biological evaluation of novel (E)-N'-(2,3-dihydro-1H-inden-1-ylidene) benzohydrazides as potent LSD1 inhibitors.EBI
Bioorg Med Chem Lett 26: 4552-4557 (2016)
Sichuan University
A Fungal-Selective Cytochrome bc1 Inhibitor Impairs Virulence and Prevents the Evolution of Drug Resistance.BDB
Cell Chem Biol 23: 978-991 (2016)
Massachusetts Institute of Technology
Inhibitors for the bacterial ectonucleotidase Lp1NTPDase from Legionella pneumophila.EBI
Bioorg Med Chem 24: 4363-4371 (2016)
University of Bonn
Synthetic, enzyme kinetic, and protein crystallographic studies of C-▀-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.EBI
Eur J Med Chem 123: 737-745 (2016)
University of Thessaly
Quinolino[3,4-b]quinoxalines and pyridazino[4,3-c]quinoline derivatives: Synthesis, inhibition of topoisomerase IIa, G-quadruplex binding and cytotoxic properties.EBI
Eur J Med Chem 123: 704-717 (2016)
Universit£
Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.EBI
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Idenix Sarl, An Msd
Coumarin derivatives as potential inhibitors of acetylcholinesterase: Synthesis, molecular docking and biological studies.EBI
Bioorg Med Chem 24: 4587-4599 (2016)
Panjab University
Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.EBI
Bioorg Med Chem 24: 4647-4651 (2016)
Virginia Tech
Synthesis and T-type calcium channel-blocking effects of aryl(1,5-disubstituted-pyrazol-3-yl)methyl sulfonamides for neuropathic pain treatment.EBI
Eur J Med Chem 123: 665-672 (2016)
Korea Institute of Science & Technology (Kist)
Structure-guided discovery of thiazolidine-2,4-dione derivatives as a novel class of Leishmania major pteridine reductase 1 inhibitors.EBI
Eur J Med Chem 123: 639-648 (2016)
Universidade Estadual De Feira De Santana
Inhibitor screening and enzymatic activity determination for autophagy target Atg4B using a gel electrophoresis-based assay.EBI
Eur J Med Chem 123: 631-638 (2016)
University of Antwerp
Modulatory effects of silibinin in various cell signaling pathways against liver disorders and cancer - A comprehensive review.EBI
Eur J Med Chem 123: 577-595 (2016)
Tasly Pharmaceutical Group
Optimization and biological evaluation of aminopyrimidine-based I┐B kinase▀ inhibitors with potent anti-inflammatory effects.EBI
Eur J Med Chem 123: 544-556 (2016)
Korea Advanced Institute of Science and Technology (Kaist)
Discovery of N-(benzyloxy)-1,3-diphenyl-1H-pyrazole-4-carboxamide derivatives as potential antiproliferative agents by inhibiting MEK.EBI
Bioorg Med Chem 24: 4652-4659 (2016)
Anhui Agricultural University
Design and synthesis of cis-restricted benzimidazole and benzothiazole mimics of combretastatin A-4 as antimitotic agents with apoptosis inducing ability.EBI
Bioorg Med Chem Lett 26: 4527-4535 (2016)
Csir-Indian Institute of Chemical Technology
Human Toll-like Receptor (TLR) 8-Specific Agonistic Activity in Substituted Pyrimidine-2,4-diamines.EBI
J Med Chem 59: 8082-93 (2016)
University of Minnesota
Design and Synthesis of Pyridone-Containing 3,4-Dihydroisoquinoline-1(2H)-ones as a Novel Class of Enhancer of Zeste Homolog 2 (EZH2) Inhibitors.EBI
J Med Chem 59: 8306-25 (2016)
Pfizer
a-Glucosidase anda-Amylase Inhibitors from Arcytophyllum thymifolium.EBI
J Nat Prod 79: 2104-12 (2016)
Universit£
Pyridyl-alanine as a Hydrophilic, Aromatic Element in Peptide Structural Optimization.EBI
J Med Chem 59: 8061-7 (2016)
Indiana University
1,2,3-Triazoles as Amide Bioisosteres: Discovery of a New Class of Potent HIV-1 Vif Antagonists.EBI
J Med Chem 59: 7677-82 (2016)
Sanford Burnham Prebys Medical Discovery Institute
Highly Selective Dopamine D3 Receptor (D3R) Antagonists and Partial Agonists Based on Eticlopride and the D3R Crystal Structure: New Leads for Opioid Dependence Treatment.EBI
J Med Chem 59: 7634-50 (2016)
National Institute On Drug Abuse-Intramural Research Program
Discovery of a new type of scaffold for the creation of novel tyrosinase inhibitors.EBI
Bioorg Med Chem 24: 4509-4515 (2016)
Hinoki Shinyaku
Discovery of ravidasvir (PPI-668) as a potent pan-genotypic HCV NS5A inhibitor.EBI
Bioorg Med Chem Lett 26: 4508-4512 (2016)
Presidio Pharmaceuticals
Hernandezine, a Bisbenzylisoquinoline Alkaloid with Selective Inhibitory Activity against Multidrug-Resistance-Linked ATP-Binding Cassette Drug Transporter ABCB1.EBI
J Nat Prod 79: 2135-42 (2016)
Chang Gung Memorial Hospital
Non-canonical modulators of nuclear receptors.EBI
Bioorg Med Chem Lett 26: 4157-64 (2016)
Vitae Pharmaceuticals
Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes.EBI
Bioorg Med Chem Lett 26: 4487-4491 (2016)
Vanderbilt University
Synthesis and trypanocidal activity of novel benzimidazole derivatives.EBI
Bioorg Med Chem Lett 26: 4377-81 (2016)
Universidad Nacional Aut£Noma De M£Xico
Optimization of Platelet-Derived Growth Factor Receptor (PDGFR) Inhibitors for Duration of Action, as an Inhaled Therapy for Lung Remodeling in Pulmonary Arterial Hypertension.EBI
J Med Chem 59: 7901-14 (2016)
Novartis Institutes of Biomedical Research (Nibr)
Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors.EBI
J Med Chem 59: 7544-60 (2016)
Novartis Institutes For Biomedical Research
Arylazolyl(azinyl)thioacetanilides. Part 20: Discovery of novel purinylthioacetanilides derivatives as potent HIV-1 NNRTIs via a structure-based bioisosterism approach.EBI
Bioorg Med Chem 24: 4424-4433 (2016)
Shandong University
2015 Philip S. Portoghese Medicinal Chemistry Lectureship. Curing Hepatitis C Virus Infection with Direct-Acting Antiviral Agents: The Arc of a Medicinal Chemistry Triumph.EBI
NA
Bristol-Myers Squibb Research & Development
Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).EBI
J Med Chem 59: 8094-102 (2016)
Takeda Cambridge
A Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model.EBI
J Med Chem 59: 8141-7 (2016)
Institute of Science Education and Research-Kolkata (Iiser) Kolkata
Discovery and structure-activity relationships of a novel isothiazolone class of bacterial type II topoisomerase inhibitors.EBI
Bioorg Med Chem Lett 26: 4179-83 (2016)
Redx Pharma
Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.EBI
Bioorg Med Chem Lett 26: 4492-4496 (2016)
Genentech
Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase).EBI
Bioorg Med Chem 24: 4536-4543 (2016)
University of Illinois At Chicago
Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.EBI
J Nat Prod 79: 1962-70 (2016)
University of British Columbia
Charting the chemical space around the (iso)indoline scaffold, a comprehensive approach towards multitarget directed ligands.EBI
Bioorg Med Chem Lett 26: 4211-5 (2016)
Gedeon Richter
Oxazolidinone-based allosteric modulators of mGluR5: Defining molecular switches to create a pharmacological tool box.EBI
Bioorg Med Chem Lett 26: 4165-9 (2016)
Bristol-Myers Squibb Research & Development
Design and synthesis of new 2-anilinoquinolines bearing N-methylpicolinamide moiety as potential antiproliferative agents.BDB
Chem Biol Drug Des 89: 98-113 (2017)
Korea Institute of Science and Technology
Biological importance of structurally diversified chromenes.EBI
NA
University of Minho
Cholinesterase inhibitory activity of isoquinoline alkaloids from three Cryptocarya species (Lauraceae).EBI
Bioorg Med Chem 24: 4464-4469 (2016)
University of Malaya
3-Arylpropionylhydroxamic acid derivatives as Helicobacter pylori urease inhibitors: Synthesis, molecular docking and biological evaluation.EBI
Bioorg Med Chem 24: 4519-4527 (2016)
Jishou University
Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.EBI
Bioorg Med Chem Lett 26: 4362-6 (2016)
Merck And
Vialinin A and thelephantin G, potent inhibitors of tumor necrosis factor-? production, inhibit sentrin/SUMO-specific protease 1 enzymatic activity.EBI
Bioorg Med Chem Lett 26: 4237-40 (2016)
Tokyo University of Agriculture
Synthesis and biological evaluation of novel imidazol-1-ylacetic acid derivatives as non-brain penetrant bombesin receptor subtype-3 (BRS-3) agonists.EBI
Bioorg Med Chem Lett 26: 4205-10 (2016)
Daiichi Sankyo
Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.EBI
Bioorg Med Chem Lett 26: 4216-22 (2016)
Janssen Research & Development
Tyrosine Kinase Inhibitors. 20. Optimization of Substituted Quinazoline and Pyrido[3,4-d]pyrimidine Derivatives as Orally Active, Irreversible Inhibitors of the Epidermal Growth Factor Receptor Family.EBI
J Med Chem 59: 8103-24 (2016)
University of Auckland
Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.EBI
J Med Chem 59: 9337-9349 (2016)
Merck
Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy.EBI
J Med Chem 59: 8068-81 (2016)
Pfizer
Small Molecules in Development for the Treatment of Spinal Muscular Atrophy.EBI
NA
Brigham & Women'S Hospital and Harvard Medical School
Design, synthesis and structure-activity relationships of novel 4-phenoxyquinoline derivatives containing 1,2,4-triazolone moiety as c-Met kinase inhibitors.EBI
Eur J Med Chem 123: 431-446 (2016)
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)
Design, synthesis and biological evaluation of novel cholesteryl ester transfer protein inhibitors bearing a cycloalkene scaffold.EBI
Eur J Med Chem 123: 419-430 (2016)
Shenyang Pharmaceutical University
Design and synthesis of 1,2,3-triazole-containing N-acyl zanamivir analogs as potent neuraminidase inhibitors.EBI
Eur J Med Chem 123: 397-406 (2016)
National Tsing Hua University
Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics.EBI
Eur J Med Chem 123: 332-353 (2016)
Shanghai Jiao Tong University
Discovery of (R)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid as a Potent and Selective Aldo-keto Reductase 1C3 Inhibitor.EBI
J Med Chem 59: 7431-44 (2016)
University of Pennsylvania
Blinded predictions of binding modes and energies of HSP90-? ligands for the 2015 D3R grand challenge.EBI
Bioorg Med Chem 24: 4890-4899 (2016)
University of Edinburgh
Similarities and differences in affinity and binding modes of tricyclic pyrimido- and pyrazinoxanthines at human and rat adenosine receptors.EBI
Bioorg Med Chem 24: 4347-4362 (2016)
Jagiellonian University Medical College
Cloning, expression, purification and sulfonamide inhibition profile of the complete domain of the ?-carbonic anhydrase from Plasmodium falciparum.EBI
Bioorg Med Chem Lett 26: 4184-90 (2016)
Cnr
New small molecule inhibitors of histone methyl transferase DOT1L with a nitrile as a non-traditional replacement for heavy halogen atoms.EBI
Bioorg Med Chem Lett 26: 4518-4522 (2016)
University College London
Synthesis and structure-activity relationship study of tacrine-based pyrano[2,3-c]pyrazoles targeting AChE/BuChE and 15-LOX.EBI
Eur J Med Chem 123: 298-308 (2016)
Tehran University of Medical Sciences
Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 123: 282-297 (2016)
China Pharmaceutical University
The therapeutic journey of pyridazinone.EBI
Eur J Med Chem 123: 256-281 (2016)
Jamia Hamdard
Therapeutic potential of coumarins as antiviral agents.EBI
NA
Universiti Sains Malaysia
Identification of new potent phthalazine derivatives with VEGFR-2 and EGFR kinase inhibitory activity.EBI
Eur J Med Chem 123: 191-201 (2016)
Cairo University
Peripherally Selective Cannabinoid 1 Receptor (CB1R) Agonists for the Treatment of Neuropathic Pain.EBI
J Med Chem 59: 7525-43 (2016)
Research Triangle Institute
Development of a Series of (1-Benzyl-3-(6-methoxypyrimidin-3-yl)-5-(trifluoromethoxy)-1H-indol-2-yl)methanols as Selective Protease Activated Receptor 4 (PAR4) Antagonists with in Vivo Utility and Activity Against ?-Thrombin.EBI
J Med Chem 59: 7690-5 (2016)
Northwest Agriculture & Forestry University
Solution-phase microwave assisted parallel synthesis, biological evaluation and in silico docking studies of N,N'-disubstituted thioureas derived from 3-chlorobenzoic acid.EBI
Bioorg Med Chem 24: 4452-4463 (2016)
Quaid-I-Azam University
Exploring new scaffolds for angiotensin II receptor antagonism.EBI
Bioorg Med Chem 24: 4444-4451 (2016)
National Hellenic Research Foundation
Characterization of the action of tyrosinase on resorcinols.EBI
Bioorg Med Chem 24: 4434-4443 (2016)
University of Murcia
Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.BDB
Nat Chem Biol 12: 779-86 (2016)
Genentech
Design, synthesis and biological evaluation of coumarin derivatives as novel acetylcholinesterase inhibitors that attenuate H2O2-induced apoptosis in SH-SY5Y cells.BDB
Bioorg Chem 68: 112-123 (2016)
Shenyang Pharmaceutical University
6-Aryl substituted 4-(4-cyanomethyl) phenylamino quinazolines as a new class of isoform-selective PI3K-alpha inhibitors.EBI
Eur J Med Chem 122: 731-743 (2016)
Csir-Indian Institute of Integrative Medicine
Design of a novel thiophene inhibitor of 15-lipoxygenase-1 with both anti-inflammatory and neuroprotective properties.EBI
Eur J Med Chem 122: 786-801 (2016)
University of Groningen
Identification of potent, selective KDM5 inhibitors.EBI
Bioorg Med Chem Lett 26: 4350-4 (2016)
Constellation Pharmaceuticals
Discovery and SAR of pyrrolo[2,1-f][1,2,4]triazin-4-amines as potent and selective PI3K? inhibitors.EBI
Bioorg Med Chem Lett 26: 4256-60 (2016)
Bristol-Myers Squibb
Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.EBI
Bioorg Med Chem Lett 26: 4250-5 (2016)
Merck Research Laboratories
C15-methoxyphenylated 18-deoxy-herbimycin A analogues, their in vitro anticancer activity and heat shock protein 90 binding affinity.EBI
Bioorg Med Chem Lett 26: 4287-91 (2016)
Peking Union Medical College & Chinese Academy of Medical Sciences
Trypsin inhibitors for the treatment of pancreatitis.EBI
Bioorg Med Chem Lett 26: 4340-4 (2016)
Novartis Pharma
Discovery and SAR of a novel series of potent, CNS penetrant M4 PAMs based on a non-enolizable ketone core: Challenges in disposition.EBI
Bioorg Med Chem Lett 26: 4282-6 (2016)
Vanderbilt University School of Medicine
Design and synthesis of fused bicyclic inhibitors targeting the L5 loop site of centromere-associated protein E.EBI
Bioorg Med Chem Lett 26: 4296-300 (2016)
Takeda Pharmaceutical
Colorectal anticancer activities of polymethoxylated 3-naphthyl-5-phenylpyrazoline-carbothioamides.EBI
Bioorg Med Chem Lett 26: 4301-9 (2016)
Konkuk University
Bacterial versus human sphingosine-1-phosphate lyase (S1PL) in the design of potential S1PL inhibitors.EBI
Bioorg Med Chem 24: 4381-4389 (2016)
Institute For Advanced Chemistry of Catalonia (Iqac-Csic)
Design, synthesis, molecular docking and biological evaluation of thiophen-2-iminothiazolidine derivatives for use against Trypanosoma cruzi.EBI
Bioorg Med Chem 24: 4228-4240 (2016)
Federal University of Alagoas
5-HT7 receptor modulators: Amino groups attached to biphenyl scaffold determine functional activity.EBI
Eur J Med Chem 123: 180-190 (2016)
Yonsei University
Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors.EBI
Eur J Med Chem 123: 171-179 (2016)
Fudan University
Selenoureido-iminosugars: A new family of multitarget drugs.EBI
Eur J Med Chem 123: 155-160 (2016)
University of Copenhagen
Synthesis, biological evaluation and molecular modeling studies of imidazo[1,2-a]pyridines derivatives as protein kinase inhibitors.EBI
Eur J Med Chem 123: 105-114 (2016)
Paris-Sud University
Design, synthesis and biological evaluation of novel 4-arylaminopyrimidine derivatives possessing a hydrazone moiety as dual inhibitors of L1196M ALK and ROS1.EBI
Eur J Med Chem 123: 80-89 (2016)
Shenyang Pharmaceutical University
Substituted conformationally restricted guanidine derivatives: Probing the ?2-adrenoceptors' binding pocket.EBI
Eur J Med Chem 123: 48-57 (2016)
Trinity College
Bioevaluation of sixteen ADMDP stereoisomers toward alpha-galactosidase A: Development of a new pharmacological chaperone for the treatment of Fabry disease and potential enhancement of enzyme replacement therapy efficiency.EBI
Eur J Med Chem 123: 14-20 (2016)
National Cheng Kung University
Novel pyrazolo[3,4-d]pyrimidines as dual Src-Abl inhibitors active against mutant form of Abl and the leukemia K-562 cell line.EBI
Eur J Med Chem 123: 1-13 (2016)
Cairo University
Synthesis of novel bisindolylmethanes: New carbonic anhydrase II inhibitors, docking, and 3D pharmacophore studies.BDB
Bioorg Chem 68: 90-104 (2016)
Universiti Teknologi Mara (Uitm)
In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase.BDB
Bioorg Chem 68: 80-89 (2016)
Universiti Teknologi Mara (Uitm)
Bortezomib inhibits bacterial and fungal▀-carbonic anhydrases.EBI
Bioorg Med Chem 24: 4406-4409 (2016)
Universit£
1,2,3-Triazoles as inhibitors of indoleamine 2,3-dioxygenase 2 (IDO2).EBI
Bioorg Med Chem Lett 26: 4330-3 (2016)
Sib Swiss Institute For Bioinformatics
Structure-Activity Relationship Studies for Enhancer of Zeste Homologue 2 (EZH2) and Enhancer of Zeste Homologue 1 (EZH1) Inhibitors.EBI
J Med Chem 59: 7617-33 (2016)
Icahn School of Medicine At Mount Sinai
Development of a Single-Chain Peptide Agonist of the Relaxin-3 Receptor Using Hydrocarbon Stapling.EBI
J Med Chem 59: 7445-56 (2016)
Kobe Gakuin University
Development of Blood-Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity.EBI
J Med Chem 59: 7584-97 (2016)
University of Porto
Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin.EBI
Bioorg Med Chem 24: 4324-4338 (2016)
China Pharmaceutical University
The discovery of novel and selective fatty acid binding protein 4 inhibitors by virtual screening and biological evaluation.EBI
Bioorg Med Chem 24: 4310-4317 (2016)
Chinese Academy of Sciences
Design, synthesis and optimization of novel Alk5 (activin-like kinase 5) inhibitors.EBI
Bioorg Med Chem Lett 26: 4334-9 (2016)
Takeda California
Synthesis, biological evaluation and molecular modeling studies of psammaplin A and its analogs as potent histone deacetylases inhibitors and cytotoxic agents.EBI
Bioorg Med Chem Lett 26: 4372-6 (2016)
Shenyang Pharmaceutical University
Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor ? and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.EBI
J Med Chem 59: 7856-76 (2016)
Duquesne University
Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors.EBI
J Med Chem 59: 7651-66 (2016)
Roche Innovation Center Shanghai
Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex.EBI
J Med Chem 59: 7125-37 (2016)
Bristol-Myers Squibb R & D
Histone deacetylase 6 structure and molecular basis of catalysis and inhibitionBDB
Nat Chem Biol 12: 741-747 (2016)
University of Pennsylvania
Structural insights into HDAC6 tubulin deacetylation and its selective inhibition.BDB
Nat Chem Biol 12: 748-54 (2016)
Friedrich Miescher Institute For Biomedical Research
The synthesis of novel pyrazole-3,4-dicarboxamides bearing 5-amino-1,3,4-thiadiazole-2-sulfonamide moiety with effective inhibitory activity against the isoforms of human cytosolic carbonic anhydrase I and II.BDB
Bioorg Chem 68: 64-71 (2016)
Dumlupinar University
Synthesis, ▀-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs.BDB
Bioorg Chem 68: 56-63 (2016)
Universiti Teknologi Mara
Synthesis of pyrimidin-4-one-1,2,3-triazole conjugates as glycogen synthase kinase-3▀ inhibitors with anti-depressant activity.BDB
Bioorg Chem 68: 41-55 (2016)
Jamia Hamdard (Hamdard University)
Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo lead modification: Syntheses and biological assays.EBI
Bioorg Med Chem 24: 4291-4309 (2016)
Jadavpur University
Syringaresinol induces mitochondrial biogenesis through activation of PPAR▀ pathway in skeletal muscle cells.EBI
Bioorg Med Chem Lett 26: 3978-83 (2016)
Korea University
Binding characterization, synthesis and biological evaluation of RXRa antagonists targeting the coactivator binding site.EBI
Bioorg Med Chem Lett 26: 3846-9 (2016)
Xiamen University
Structure-based virtual screening toward the discovery of novel inhibitors of the DNA repair activity of the human apurinic/apyrimidinic endonuclease 1.BDB
Chem Biol Drug Des 88: 915-925 (2016)
Universidade De Lisboa
Synthesis and in vitro reactivation study of isonicotinamide derivatives of 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide as reactivators of Sarin and VX inhibited human acetylcholinesterase (hAChE).EBI
Bioorg Med Chem 24: 4171-4176 (2016)
Defence Research & Development Establishment
Structure-based optimization leads to the discovery of NSC765844, a highly potent, less toxic and orally efficacious dual PI3K/mTOR inhibitor.EBI
Eur J Med Chem 122: 684-701 (2016)
Second Military Medical University
Discovery of novel Tetrahydrobenzo[b]thiophene and pyrrole based scaffolds as potent and selective CB2 receptor ligands: The structural elements controlling binding affinity, selectivity and functionality.EBI
Eur J Med Chem 122: 619-634 (2016)
German University In Cairo
Synthesis and structure-activity relationships of novel arylpiperazines as potent antagonists ofa1-adrenoceptor.EBI
Eur J Med Chem 122: 601-610 (2016)
University of Bras£Lia
Ameliorative effects of amide derivatives of 1,3,4-thiadiazoles on scopolamine induced cognitive dysfunction.EBI
Eur J Med Chem 122: 557-573 (2016)
University Institute of Pharmaceutical Sciences
New palbociclib analogues modified at the terminal piperazine ring and their anticancer activities.EBI
Eur J Med Chem 122: 546-556 (2016)
China Pharmaceutical University
Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase.EBI
Bioorg Med Chem 24: 4281-4290 (2016)
Shanghai Pharmaceuticals Holding
Steric structure-activity relationship of cyproheptadine derivatives as inhibitors of histone methyltransferase Set7/9.EBI
Bioorg Med Chem 24: 4318-4323 (2016)
Tokyo Medical and Dental University (Tmdu)
Discovery of a potent and highly selective transforming growth factor▀ receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD).EBI
Bioorg Med Chem 24: 4206-4217 (2016)
Chugai Pharmaceutical
Fatty Acid Transport Proteins: Targeting FATP2 as a Gatekeeper Involved in the Transport of Exogenous Fatty Acids.EBI
Medchemcomm 7: 612-622 (2016)
University of Nebraska
Ligand binding cooperativity: Bioisosteric replacement of CO with SO2 among thrombin inhibitors.EBI
Bioorg Med Chem Lett 26: 3850-4 (2016)
The State University of New York At Buffalo
Cholinesterase inhibitory activity of chlorophenoxy derivatives-Histamine H3 receptor ligands.EBI
Bioorg Med Chem Lett 26: 4140-5 (2016)
Jagiellonian University Medical College
Synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory potential of hydrazide based Schiff bases.BDB
Bioorg Chem 68: 30-40 (2016)
Hazara University
Myrsinane, Premyrsinane, and Cyclomyrsinane Diterpenes from Euphorbia falcata as Potassium Ion Channel Inhibitors with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effects.EBI
J Nat Prod 79: 1990-2004 (2016)
Rytmion
Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective NaV1.7 Inhibitors.EBI
J Med Chem 59: 7818-39 (2016)
Amgen
Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.BDB
Biochemistry 55: 4574-82 (2016)
Duquesne University
Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor AgonistsBDB
ACS Chem Biol 11: 2763-2772 (2016)
Uppsala University
Structure-Based Design of ?5c Selective Inhibitors of Human Constitutive Proteasomes.EBI
J Med Chem 59: 7177-87 (2016)
Leiden Institute of Chemistry
Comparative Analysis of Binding Kinetics and Thermodynamics of Dipeptidyl Peptidase-4 Inhibitors and Their Relationship to Structure.EBI
J Med Chem 59: 7466-77 (2016)
Boehringer Ingelheim Pharma
Transient Receptor Potential Melastatin 8 Channel (TRPM8) Modulation: Cool Entryway for Treating Pain and Cancer.EBI
NA
Instituto De Qu£Mica M£Dica
Novel Series of Potent Glucokinase Activators Leading to the Discovery of AM-2394.EBI
ACS Med Chem Lett 7: 714-8 (2016)
Amgen
Identification of Novel Steroidal Androgen Receptor Degrading Agents Inspired by Galeterone 3?-Imidazole Carbamate.EBI
ACS Med Chem Lett 7: 708-13 (2016)
University of Maryland
Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.EBI
ACS Med Chem Lett 7: 702-7 (2016)
Merck Research Laboratories
Discovery of MK-7145, an Oral Small Molecule ROMK Inhibitor for the Treatment of Hypertension and Heart Failure.EBI
ACS Med Chem Lett 7: 697-701 (2016)
Merck Research Laboratories
Charged Nonclassical Antifolates with Activity Against Gram-Positive and Gram-Negative Pathogens.EBI
ACS Med Chem Lett 7: 692-6 (2016)
University of Connecticut
Screening Identifies Thimerosal as a Selective Inhibitor of Endoplasmic Reticulum Aminopeptidase 1.EBI
ACS Med Chem Lett 7: 681-5 (2016)
National Center For Scientific Research Demokritos
Discovery of Pyridinyl Acetamide Derivatives as Potent, Selective, and Orally Bioavailable Porcupine Inhibitors.EBI
ACS Med Chem Lett 7: 676-80 (2016)
Genomics Institute of The Novartis Research Foundation
Discovery of Pyrazolo[1,5-a]pyrimidine TTK Inhibitors: CFI-402257 is a Potent, Selective, Bioavailable Anticancer Agent.EBI
ACS Med Chem Lett 7: 671-5 (2016)
Entremed
5-Alkyl-2-urea-Substituted Pyridines: Identification of Efficacious Glucokinase Activators with Improved Properties.EBI
ACS Med Chem Lett 7: 666-70 (2016)
Amgen
Therapeutic Potential for Modulation of Nrf2-Keap-1 Signaling Pathway as Treatment for Diabetes and Other Disorders.EBI
ACS Med Chem Lett 7: 660-1 (2016)
Therachem Research Medilab (India)
N-(2-Alkyleneimino-3-phenylpropyl)acetamide Compounds and Their Use against Pain and Pruritus via Inhibition of TRPA1 Channels.EBI
ACS Med Chem Lett 7: 658-9 (2016)
Temple University
Binding mode prediction of aplysiatoxin, a potent agonist of protein kinase C, through molecular simulation and structure-activity study on simplified analogs of the receptor-recognition domain.EBI
Bioorg Med Chem 24: 4218-4227 (2016)
Ehime University
Structure-Activity Relationship and Signaling of New Chimeric CXCR4 Agonists.EBI
J Med Chem 59: 7512-24 (2016)
Universit£
Evaluation of multifunctional synthetic tetralone derivatives for treatment of Alzheimer's disease.BDB
Chem Biol Drug Des 88: 889-898 (2016)
Wuhan University of Technology
Substrate-Guided Design of Selective FXIIa Inhibitors Based on the Plant-Derived Momordica cochinchinensis Trypsin Inhibitor-II (MCoTI-II) Scaffold.EBI
J Med Chem 59: 7287-92 (2016)
The University of Queensland
Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-CeEBI
J Med Chem 59: 6671-89 (2016)
Genomics Institute of The Novartis Research Foundation
Synthesis, structure-activity relationships and biological evaluation of 4,5,6,7-tetrahydropyrazolopyrazines as metabotropic glutamate receptor 5 negative allosteric modulators.EBI
Bioorg Med Chem Lett 26: 3866-9 (2016)
Sumitomo Dainippon Pharma
Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.EBI
Eur J Med Chem 121: 747-757 (2016)
Universit£
Evolution of a Novel, Orally Bioavailable Series of PI3K? Inhibitors from an Inhaled Lead for the Treatment of Respiratory Disease.EBI
J Med Chem 59: 7239-51 (2016)
Glaxosmithkline R&D
Evolution of Src Homology 2 (SH2) Domain to Recognize Sulfotyrosine.BDB
ACS Chem Biol 11: 2551-7 (2016)
University of Nebraska-Lincoln
Fluorescent Farnesyl Diphosphate Analogue: A Probe To Validate trans-Prenyltransferase Inhibitors.BDB
Biochemistry 55: 4366-74 (2016)
Academia Sinica
Design, Synthesis, and Biological Evaluation of Substituted Pyrimidines as Potential Phosphatidylinositol 3-Kinase (PI3K) Inhibitors.EBI
J Med Chem 59: 7268-74 (2016)
Sun Yat-Sen University
Potent Suppressive Effects of 1-Piperidinylimidazole Based Novel P2X7 Receptor Antagonists on Cancer Cell Migration and Invasion.EBI
J Med Chem 59: 7410-30 (2016)
Gwangju Institute of Science and Technology (Gist)
Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.BDB
Cell Chem Biol 23: 769-81 (2016)
Emory University
The evolution of P2X7 antagonists with a focus on CNS indications.EBI
Bioorg Med Chem Lett 26: 3838-45 (2016)
Janssen Pharmaceutical Research & Development
Discovery of novel TAOK2 inhibitor scaffolds from high-throughput screening.EBI
Bioorg Med Chem Lett 26: 3923-7 (2016)
University of Texas Southwestern Medical Center
Synthesis and evaluation of novel 1,2,3-triazole-based acetylcholinesterase inhibitors with neuroprotective activity.EBI
Bioorg Med Chem Lett 26: 3881-5 (2016)
University of Jinan
New P2X3 receptor antagonists. Part 2: Identification and SAR of quinazolinones.EBI
Bioorg Med Chem Lett 26: 3905-12 (2016)
Gedeon Richter
Design and synthesis of aminothiazole modulators of the gamma-secretase enzyme.EBI
Bioorg Med Chem Lett 26: 3928-37 (2016)
University of California
Discovery of Novel Polo-Like Kinase 1 Polo-Box Domain Inhibitors to Induce Mitotic Arrest in Tumor Cells.EBI
J Med Chem 59: 7089-96 (2016)
Peking University
Synthesis and biological evaluation of C(5)-substituted derivatives of leukotriene biosynthesis inhibitor BRP-7.EBI
Eur J Med Chem 122: 510-519 (2016)
Gazi University
Synthesis and carbonic anhydrase inhibitory effects of new N-glycosylsulfonamides incorporating the phenol moiety.EBI
Bioorg Med Chem Lett 26: 3892-5 (2016)
Universidad Nacional De La Plata
Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.EBI
Bioorg Med Chem Lett 26: 3950-4 (2016)
St. Jude Children'S Research Hospital
New P2X3 receptor antagonists. Part 1: Discovery and optimization of tricyclic compounds.EBI
Bioorg Med Chem Lett 26: 3896-904 (2016)
Gedeon Richter
Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3▀ inhibitors.EBI
Eur J Med Chem 121: 727-736 (2016)
National Institute of Pharmaceutical Education and Research
Design and Characterization of Superpotent Bivalent Ligands Targeting Oxytocin Receptor Dimers via a Channel-Like Structure.EBI
J Med Chem 59: 7152-66 (2016)
Institute of Neuroscience
Neolignans from the Arils of Myristica fragrans as Potent Antagonists of CC Chemokine Receptor 3.EBI
J Nat Prod 79: 2005-13 (2016)
Kindai University
Design, synthesis, and preliminary bioactivity evaluation of N(1) -hydroxyterephthalamide derivatives with indole cap as novel histone deacetylase inhibitors.BDB
Chem Biol Drug Des 89: 38-46 (2017)
Shandong University
An Update on Poly(ADP-ribose)polymerase-1 (PARP-1) Inhibitors: Opportunities and Challenges in Cancer Therapy.EBI
NA
Shanghai Institute of Materia Medica
Synthesis of novel disulfide and sulfone hybrid scaffolds as potent ▀-glucuronidase inhibitor.BDB
Bioorg Chem 68: 15-22 (2016)
Universiti Teknologi Mara
Small Molecule Kinase Inhibitors for the Treatment of Brain Cancer.EBI
NA
Genentech
Drug-like Antagonists of P2Y Receptors-From Lead Identification to Drug Development.EBI
NA
University of Nottingham
Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.EBI
J Med Chem 59: 7598-616 (2016)
University of Modena and Reggio Emilia
South (S)- and North (N)-Methanocarba-7-Deazaadenosine Analogues as Inhibitors of Human Adenosine Kinase.EBI
J Med Chem 59: 6860-77 (2016)
National Institute of Diabetes and Digestive and Kidney Diseases
Polyprenylated Benzoylphloroglucinols with DNA Polymerase Inhibitory Activity from the Fruits of Garcinia schomburgkiana.EBI
J Nat Prod 79: 1798-807 (2016)
Kobe Pharmaceutical University
Peptidyl-Proline Isomerases (PPIases): Targets for Natural Products and Natural Product-Inspired Compounds.EBI
NA
University of Michigan
Design, Synthesis, and Initial Evaluation of Affinity-Based Small-Molecule Probes for Fluorescent Visualization and Specific Detection of Keap1.EBI
J Med Chem 59: 7305-10 (2016)
China Pharmaceutical University
Synthesis and biological evaluation of analogues of the potent ADAM8 inhibitor cyclo(RLsKDK) for the treatment of inflammatory diseases and cancer metastasis.EBI
Bioorg Med Chem 24: 4032-4037 (2016)
University of Auckland
Synthesis and biological evaluation of 3-substituted 5-benzylidene-1-methyl-2-thiohydantoins as potent NADPH oxidase (NOX) inhibitors.EBI
Bioorg Med Chem 24: 4144-4151 (2016)
Ewha Womans University
Synthesis, antiproliferative and pro-apoptotic activity of 2-phenylindoles.EBI
Bioorg Med Chem 24: 4075-4099 (2016)
Trinity College
Lead optimization of a pyrazolo[1,5-a]pyrimidin-7(4H)-one scaffold to identify potent, selective and orally bioavailable KDM5 inhibitors suitable for in vivo biological studies.EBI
Bioorg Med Chem Lett 26: 4036-41 (2016)
Genentech
Ionic liquid-promoted multicomponent synthesis of fused tetrazolo[1,5-a]pyrimidines asa-glucosidase inhibitors.EBI
Bioorg Med Chem Lett 26: 4007-14 (2016)
National Institute of Technology Karnataka
Synthesis of benzimidazole based thiadiazole and carbohydrazide conjugates as glycogen synthase kinase-3▀ inhibitors with anti-depressant activity.EBI
Bioorg Med Chem Lett 26: 4020-4 (2016)
Jamia Hamdard (Hamdard University)
Discovery of 2-((3-cyanopyridin-2-yl)thio)acetamides as human lactate dehydrogenase A inhibitors to reduce the growth of MG-63 osteosarcoma cells: Virtual screening and biological validation.EBI
Bioorg Med Chem Lett 26: 3984-7 (2016)
Heilongjiang Province Hospital
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.EBI
J Med Chem 59: 7683-9 (2016)
The University of Queensland
Discovery of novel dihydrobenzofuran cyclopropane carboxylic acid based calcium sensing receptor antagonists for the treatment of osteoporosis.EBI
Bioorg Med Chem Lett 26: 4077-80 (2016)
Merck Research Laboratories
Synthesis 4-[2-(2-mercapto-4-oxo-4H-quinazolin-3-yl)-ethyl]-benzenesulfonamides with subnanomolar carbonic anhydrase II and XII inhibitory properties.EBI
Bioorg Med Chem 24: 4100-4107 (2016)
Universit£
Synthesis and biological evaluation of Oblongifolin C derivatives as c-Met inhibitors.EBI
Bioorg Med Chem 24: 4120-4128 (2016)
Shanghai University of Traditional Chinese Medicine
Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening.EBI
J Med Chem 59: 7075-88 (2016)
Universidade Federal De Goi£S
Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine oxidase B inhibitors.EBI
Bioorg Med Chem 24: 4835-4854 (2016)
Universitat De Barcelona
Oxa-Pictet-Spengler reaction as key step in the synthesis of novels receptor ligands with 2-benzopyran structure.EBI
Bioorg Med Chem 24: 4045-4055 (2016)
Universit£T M£Nster
Discovery and Structural Optimization of N5-Substituted 6,7-Dioxo-6,7-dihydropteridines as Potent and Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors against L858R/T790M Resistance Mutation.EBI
J Med Chem 59: 7111-24 (2016)
East China University of Science and Technology
Design and synthesis of new homo and hetero bis-piperazinyl-1-propanone derivatives as 5-HT7R selective ligands over 5-HT1AR.EBI
Bioorg Med Chem Lett 26: 4052-6 (2016)
Universit£
Discovery and Rational Design of Natural-Product-Derived 2-Phenyl-3,4-dihydro-2H-benzo[f]chromen-3-amine Analogs as Novel and Potent Dipeptidyl Peptidase 4 (DPP-4) Inhibitors for the Treatment of Type 2 Diabetes.EBI
J Med Chem 59: 6772-90 (2016)
East China University of Science and Technology
Inhibitors of diacylglycerol lipases in neurodegenerative and metabolic disorders.EBI
Bioorg Med Chem Lett 26: 3831-7 (2016)
Leiden University
2-Indolylmethylenebenzofuranones as first effective inhibitors of ABCC2.EBI
Eur J Med Chem 122: 408-418 (2016)
Bmssi Umr 5086 Cnrs/Universit£
Discovery of novel small molecule inhibitors of lysine methyltransferase G9a and their mechanism in leukemia cell lines.EBI
Eur J Med Chem 122: 382-393 (2016)
Georgia State University
Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach.EBI
Eur J Med Chem 121: 758-772 (2016)
Universidade Federal Do Rio Grande Do Sul
Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism.BDB
ACS Chem Biol 11: 2529-40 (2016)
Pfizer
Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.EBI
J Med Chem 59: 7167-76 (2016)
Istituto Italiano Di Tecnologia
3-Hydrazinoindolin-2-one derivatives: Chemical classification and investigation of their targets as anticancer agents.EBI
Eur J Med Chem 122: 366-381 (2016)
Egyptian Russian University
Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.EBI
J Med Chem 59: 7188-211 (2016)
University of Berne
Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening.EBI
J Med Chem 59: 6838-47 (2016)
University of Toronto
Design and synthesis of 1H-pyrazolo[3,4-c]pyridine derivatives as a novel structural class of potent GPR119 agonists.EBI
Bioorg Med Chem Lett 26: 3441-6 (2016)
Taisho Pharmaceutical
Discovery of potent and selective inhibitors of human aminopeptidases ERAP1 and ERAP2 by screening libraries of phosphorus-containing amino acid and dipeptide analogues.EBI
Bioorg Med Chem Lett 26: 4122-6 (2016)
Wroclaw University of Technology
Discovery, characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors.EBI
Bioorg Med Chem Lett 26: 4101-5 (2016)
Emory University
Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.EBI
J Med Chem 59: 6826-37 (2016)
Purdue University
5-Benzylidene-2,4-thiazolidenedione derivatives: Design, synthesis and evaluation as inhibitors of angiogenesis targeting VEGR-2.BDB
Bioorg Chem 67: 139-47 (2016)
Bharati Vidyapeeth'S College of Pharmacy
Discovery and antiplatelet activity of a selective PI3K▀ inhibitor (MIPS-9922).EBI
Eur J Med Chem 122: 339-351 (2016)
Monash University
6-Oxooxazolidine-quinazolines as noncovalent inhibitors with the potential to target mutant forms of EGFR.EBI
Bioorg Med Chem 24: 3359-70 (2016)
Zhejiang University
Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.EBI
J Med Chem 59: 7138-51 (2016)
Vertex Pharmaceuticals
Selective 5-HT2C receptor agonists: Design and synthesis of pyridazine-fused azepines.EBI
Bioorg Med Chem Lett 26: 4117-21 (2016)
Pfizer
Optimization of pyrazole-containing 1,2,4-triazolo-[3,4-b]thiadiazines, a new class of STAT3 pathway inhibitors.EBI
Bioorg Med Chem Lett 26: 3581-5 (2016)
University of Pittsburgh
4-Oxo-1,4-dihydroquinoline-3-carboxamide Derivatives as New Axl Kinase Inhibitors.EBI
J Med Chem 59: 6807-25 (2016)
Chinese Academy of Sciences
Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.EBI
J Med Chem 59: 7299-304 (2016)
Glaxosmithkline
Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.EBI
J Med Chem 59: 6848-59 (2016)
Institutet
Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.EBI
Bioorg Med Chem 24: 4008-4015 (2016)
Broad Institute of Mit and Harvard
Synthesis and biological investigation of new equatorial (?) stereoisomers of 3-aminotropane arylamides with atypical antipsychotic profile.EBI
Bioorg Med Chem 24: 3994-4007 (2016)
Medical University of Warsaw
Quinoxaline-based inhibitors of Ebola and Marburg VP40 egress.EBI
Bioorg Med Chem Lett 26: 3429-35 (2016)
Fox Chase Chemical Diversity Center
Novel potent pyridoxine-based inhibitors of AChE and BChE, structural analogs of pyridostigmine, with improved in vivo safety profile.EBI
Bioorg Med Chem Lett 26: 4092-4 (2016)
Kazan (Volga Region) Federal University
Avarol derivatives as competitive AChE inhibitors, non hepatotoxic and neuroprotective agents for Alzheimer's disease.EBI
Eur J Med Chem 122: 326-338 (2016)
Istituto Di Chimica Biomolecolare (Icb)
New, highly potent and non-toxic, chromone inhibitors of the human breast cancer resistance protein ABCG2.EBI
Eur J Med Chem 122: 291-301 (2016)
Universit£
Synthesis, anti-inflammatory, analgesic, 5-lipoxygenase (5-LOX) inhibition activities, and molecular docking study of 7-substituted coumarin derivatives.BDB
Bioorg Chem 67: 130-8 (2016)
Nirma University
A cascade screening approach for the identification of Bcr-Abl myristate pocket binders active against wild type and T315I mutant.EBI
Bioorg Med Chem Lett 26: 3436-40 (2016)
Universit£
Novel FXR (farnesoid X receptor) modulators: Potential therapies for cholesterol gallstone disease.EBI
Bioorg Med Chem 24: 3986-3993 (2016)
Beckman Research Institute
Development of novel 1,4-benzodiazepine-based Michael acceptors as antitrypanosomal agents.EBI
Bioorg Med Chem Lett 26: 3453-6 (2016)
University of Messina
Engineering another class of anti-tubercular lead: Hit to lead optimization of an intriguing class of gyrase ATPase inhibitors.EBI
Eur J Med Chem 122: 216-231 (2016)
Birla Institute of Technology
Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.EBI
Eur J Med Chem 122: 185-195 (2016)
Czech Academy of Sciences
Discovery of a novel small molecule agonist scaffold for the APJ receptor.EBI
Bioorg Med Chem 24: 3758-70 (2016)
Rti International
Novel C-Ring-Hydroxy-Substituted Controlled Deactivation Cannabinergic Analogues.EBI
J Med Chem 59: 6903-19 (2016)
Northeastern University
Discovery of Novel Thiophene-Based, Thumb Pocket 2 Allosteric Inhibitors of the Hepatitis C NS5B Polymerase with Improved Potency and Physicochemical Profiles.EBI
J Med Chem 59: 6293-302 (2016)
Vertex Pharmaceuticals
Computer-assisted design, synthesis, binding and cytotoxicity assessments of new 1-(4-(aryl(methyl)amino)butyl)-heterocyclic sigma 1 ligands.EBI
Eur J Med Chem 121: 712-726 (2016)
University of Trieste
Doxifluridine-conjugated 2-5A analog shows strong RNase L activation ability and tumor suppressive effect.EBI
Bioorg Med Chem 24: 3870-4 (2016)
Gifu University
Development of CNS multi-receptor ligands: Modification of known D2 pharmacophores.EBI
Bioorg Med Chem 24: 3671-9 (2016)
Florida A&M University
A chromatography-free isolation of rohitukine from leaves of Dysoxylum binectariferum: Evaluation for in vitro cytotoxicity, Cdk inhibition and physicochemical properties.EBI
Bioorg Med Chem Lett 26: 3457-63 (2016)
India Academy of Scientific & Innovative Research (Acsir)
Targeting the Translesion Synthesis Pathway for the Development of Anti-Cancer Chemotherapeutics.EBI
J Med Chem 59: 9321-9336 (2016)
University of Connecticut Health Center
New Insights into Human 17▀-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.EBI
J Med Chem 59: 6961-7 (2016)
Philipps University Marburg
G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitors: Current Trends and Future Perspectives.EBI
J Med Chem 59: 9277-9294 (2016)
Universit£
IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 InhibitorsBDB
ACS Chem Biol 11: 2693-2705 (2016)
Institut De Ge??Ne??Tique Et De Biologie Mole??Culaire Et Cellulaire
Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).EBI
J Med Chem 59: 7066-74 (2016)
Sanofi-Aventis Germany
The design strategy of selective PTP1B inhibitors over TCPTP.EBI
Bioorg Med Chem 24: 3343-52 (2016)
Chinese Academy of Sciences
Design, synthesis and evaluation of novel indandione derivatives as multifunctional agents with cholinesterase inhibition, anti-▀-amyloid aggregation, antioxidant and neuroprotection properties against Alzheimer's disease.EBI
Bioorg Med Chem 24: 3829-41 (2016)
University of Delhi
Synthesis and anticancer activity of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives bearing chromone moiety.EBI
Bioorg Med Chem 24: 3862-9 (2016)
Jiangxi Science & Technology Normal University
Small molecule non-peptide inhibitors of botulinum neurotoxin serotype E: Structure-activity relationship and a pharmacophore model.EBI
Bioorg Med Chem 24: 3978-3985 (2016)
Brookhaven National Laboratory
Synthesis and evaluation of 2-pyridinylpyrimidines as inhibitors of HIV-1 structural protein assembly.EBI
Bioorg Med Chem Lett 26: 3487-90 (2016)
Academy of Sciences of The Czech Republic
New structure-activity relationships of N-acetamide substituted pyrazolopyrimidines as pharmacological ligands of TSPO.EBI
Bioorg Med Chem Lett 26: 3472-7 (2016)
Vanderbilt University
Structural modification of luteolin from Flos Chrysanthemi leads to increased tumor cell growth inhibitory activity.EBI
Bioorg Med Chem Lett 26: 3464-7 (2016)
Second Military Medical University
Design, synthesis and biological evaluation of novel 5-fluoro-1H-benzimidazole-4-carboxamide derivatives as potent PARP-1 inhibitors.EBI
Bioorg Med Chem Lett 26: 4127-32 (2016)
China Pharmaceutical University
Iminoguanidines as Allosteric Inhibitors of the Iron-Regulated Heme Oxygenase (HemO) of Pseudomonas aeruginosa.EBI
J Med Chem 59: 6929-42 (2016)
University of Maryland
Neuroactive and Anti-inflammatory Frankincense Cembranes: A Structure-Activity Study.EBI
J Nat Prod 79: 1762-8 (2016)
Universit£
Coumarin sulfonamides derivatives as potent and selective COX-2 inhibitors with efficacy in suppressing cancer proliferation and metastasis.EBI
Bioorg Med Chem Lett 26: 3491-8 (2016)
Nanjing University
Discovery of 3-(5'-Substituted)-Benzimidazole-5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazoles as Potent Fibroblast Growth Factor Receptor Inhibitors: Design, Synthesis, and Biological Evaluation.EBI
J Med Chem 59: 6690-708 (2016)
East China University of Science & Technology
Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability.EBI
J Med Chem 59: 6658-70 (2016)
Astrazeneca
Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents.EBI
J Med Chem 59: 6791-806 (2016)
Universit£
Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.EBI
J Med Chem 59: 7773-82 (2016)
Novartis Institutes For Biomedical Research
Exploiting the co-reliance of tumours upon transport of amino acids and lactate: Gln and Tyr conjugates of MCT1 inhibitors.EBI
Medchemcomm 7: 900-905 (2016)
The Scripps Research Institute
Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.EBI
Bioorg Med Chem Lett 26: 3518-24 (2016)
Genentech
Identification of the first in silico-designed TREK1 antagonists that block channel currents dose dependently.BDB
Chem Biol Drug Des 88: 807-819 (2016)
Korea Institute of Science and Technology
Identification of SENP1 inhibitors through in silico screening and rational drug design.EBI
Eur J Med Chem 122: 178-184 (2016)
Shanghai Jiao Tong University
2-(Phenylsulfonyl)quinoline N-hydroxyacrylamides as potent anticancer agents inhibiting histone deacetylase.EBI
Eur J Med Chem 122: 92-101 (2016)
Taipei Medical University
Design, synthesis of 2,3-disubstitued 4(3H)-quinazolinone derivatives as anti-inflammatory and analgesic agents: COX-1/2 inhibitory activities and molecular docking studies.EBI
Bioorg Med Chem 24: 3818-28 (2016)
King Saud University
Design, synthesis and evaluation of 4-dimethylamine flavonoid derivatives as potential multifunctional anti-Alzheimer agents.EBI
Eur J Med Chem 122: 17-26 (2016)
Henan University
New 6-Aminoquinoxaline Derivatives with Neuroprotective Effect on Dopaminergic Neurons in Cellular and Animal Parkinson Disease Models.EBI
J Med Chem 59: 6169-86 (2016)
Universit£
Synthesis and antitumor activity of selenium-containing quinone-based triazoles possessing two redox centres, and theirámechanistic insights.EBI
Eur J Med Chem 122: 1-16 (2016)
Federal University of Minas Gerais
Discovery and Structure-Based Optimization of 2-Ureidothiophene-3-carboxylic Acids as Dual Bacterial RNA Polymerase and Viral Reverse Transcriptase Inhibitors.EBI
J Med Chem 59: 7212-22 (2016)
Saarland University
Identification of a novel boronic acid as a potent, selective, and orally active hormone sensitive lipase inhibitor.EBI
Bioorg Med Chem 24: 3801-7 (2016)
Daiichi Sankyo
Sesquiterpene Hydroquinones with Protein Tyrosine Phosphatase 1B Inhibitory Activities from a Dysidea sp. Marine Sponge Collected in Okinawa.EBI
J Nat Prod 79: 1842-7 (2016)
Tohoku Medical and Pharmaceutical University
Structure-Activity Relationship Studies on Tetrahydroisoquinoline Derivatives: [4'-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)biphenyl-4-ol] (MC70) Conjugated through Flexible Alkyl Chains with Furazan Moieties Gives Rise to Potent and Selective Ligands of P-glycoprotein.EBI
J Med Chem 59: 6729-38 (2016)
Universit£
Discovery of 4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)benzamides as novel, highly potent and selective, orally bioavailable inhibitors of Tyrosine Threonine Kinase, TTK.EBI
Bioorg Med Chem Lett 26: 3562-6 (2016)
Entremed
Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness.BDB
Chem Biol Drug Des 88: 820-831 (2016)
Universit?? Di Bari Aldo Moro
Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists.EBI
J Med Chem 59: 6149-68 (2016)
National Institute of Diabetes and Digestive and Kidney Diseases
Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.EBI
J Med Chem 59: 6501-11 (2016)
Merck
2-Benzoyl-6-benzylidenecyclohexanone analogs as potent dual inhibitors of acetylcholinesterase and butyrylcholinesterase.EBI
Bioorg Med Chem 24: 3742-51 (2016)
Universiti Putra Malaysia
Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.EBI
ACS Med Chem Lett 7: 641-6 (2016)
Leo Pharma
Discovery of Substituted 1H-Pyrazolo[3,4-b]pyridine Derivatives as Potent and Selective FGFR Kinase Inhibitors.EBI
ACS Med Chem Lett 7: 629-34 (2016)
Shanghai Institute of Materia Medica
LpxC Inhibitors: Design, Synthesis, and Biological Evaluation of Oxazolidinones as Gram-negative Antibacterial Agents.EBI
ACS Med Chem Lett 7: 623-8 (2016)
Kyorin Pharmaceutical
N1-Azinylsulfonyl-1H-indoles: 5-HT6 Receptor Antagonists with Procognitive and Antidepressant-Like Properties.EBI
ACS Med Chem Lett 7: 618-22 (2016)
Jagiellonian University Medical College
Development of Potent and Selective S. aureus Sortase A Inhibitors Based on Peptide Macrocycles.EBI
ACS Med Chem Lett 7: 606-11 (2016)
Ecole Polytechnique F�D�Rale De Lausanne
Structure-Guided Discovery of Selective Antagonists for the Chromodomain of Polycomb Repressive Protein CBX7.EBI
ACS Med Chem Lett 7: 601-5 (2016)
Icahn School of Medicine At Mount Sinai
Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.EBI
ACS Med Chem Lett 7: 595-600 (2016)
Genentech
Discovery and Preclinical Evaluation of BMS-711939, an Oxybenzylglycine Based PPARa Selective Agonist.EBI
ACS Med Chem Lett 7: 590-4 (2016)
Bristol-Myers Squibb
Design and Synthesis of 2-Alkylpyrimidine-4,6-diol and 6-Alkylpyridine-2,4-diol as Potent GPR84 Agonists.EBI
ACS Med Chem Lett 7: 579-83 (2016)
East China Normal University
2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.EBI
ACS Med Chem Lett 7: 573-8 (2016)
The Institute of Cancer Research
GSK6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain.EBI
ACS Med Chem Lett 7: 552-7 (2016)
Glaxosmithkline
Potential Treatment for Neuropsychiatry Disorders with TRPC5 Modulators.EBI
ACS Med Chem Lett 7: 547-8 (2016)
Therachem Research Medilab (India)
Hydrophobic substituents increase the potency of salacinol, a potenta-glucosidase inhibitor from Ayurvedic traditional medicine 'Salacia'.EBI
Bioorg Med Chem 24: 3705-15 (2016)
Kindai University
Dihydropyrimidones: As novel class of▀-glucuronidase inhibitors.EBI
Bioorg Med Chem 24: 3624-35 (2016)
University of Karachi
Isomeric iodinated analogs of nimesulide: Synthesis, physicochemical characterization, cyclooxygenase-2 inhibitory activity, and transport across Caco-2 cells.EBI
Bioorg Med Chem 24: 3727-33 (2016)
Tohoku Medical and Pharmaceutical University
Design, synthesis, and biological evaluation of a novel series of peripheral-selective noradrenaline reuptake inhibitors - Part 3.EBI
Bioorg Med Chem 24: 3716-26 (2016)
Takeda Pharmaceutical
Contemporary developments in the discovery of selective factor Xa inhibitors: A review.EBI
NA
The Maharaja Sayajirao University of Baroda
Discovery of BC-01, a novel mutual prodrug (hybrid drug) of ubenimex and fluorouracil as anticancer agent.EBI
Eur J Med Chem 121: 649-657 (2016)
Shandong University
From bosentan (Tracleer«) to macitentan (Opsumit«): The medicinal chemistry perspective.EBI
Bioorg Med Chem Lett 26: 3381-94 (2016)
Actelion Pharmaceuticals
Metabolism study and biological evaluation of bosentan derivatives.EBI
Eur J Med Chem 121: 658-670 (2016)
University of Perugia
Synthesis and biological evaluation of novel FK228 analogues as potential isoform selective HDAC inhibitors.EBI
Eur J Med Chem 121: 592-609 (2016)
Tohoku Medical and Pharmaceutical University
Identification of noncovalent proteasome inhibitors with high selectivity for chymotrypsin-like activity by a multistep structure-based virtual screening.EBI
Eur J Med Chem 121: 578-591 (2016)
University of Naples Federico Ii
Indole-like Trk receptor antagonists.EBI
Eur J Med Chem 121: 541-552 (2016)
University of Tartu
Synthesis and biological evaluation of indole-2-carboxamides bearing photoactivatable functionalities as novel allosteric modulators for the cannabinoid CB1 receptor.EBI
Eur J Med Chem 121: 517-529 (2016)
Texas A&M University
Structural modifications of the serotonin 5-HT7 receptor agonist N-(4-cyanophenylmethyl)-4-(2-biphenyl)-1-piperazinehexanamide (LP-211) to improve inávitro microsomal stability: A case study.EBI
Eur J Med Chem 120: 363-79 (2016)
Universit£
Inside HDACs with more selective HDAC inhibitors.EBI
NA
Universit£
Neuroprotective effect of synthetic chalcone derivatives as competitive dual inhibitors against ?-calpain and cathepsin B through the downregulation of tau phosphorylation and insoluble A? peptide formation.EBI
Eur J Med Chem 121: 433-444 (2016)
Ewha Womans University
Synthesis, anti-inflammatory, analgesic, COX-1/2 inhibitory activities and molecular docking studies of substituted 2-mercapto-4(3H)-quinazolinones.EBI
Eur J Med Chem 121: 410-421 (2016)
King Saud University
Discovery of N-(3-fluoro-4-methylsulfonamidomethylphenyl)urea as a potent TRPV1 antagonistic template.EBI
Bioorg Med Chem Lett 26: 3603-7 (2016)
Seoul National University
Cardioprotective effect of novel sulphonamides-1,3,5-triazine conjugates against ischaemic-reperfusion injury via selective inhibition of MMP-9.BDB
Chem Biol Drug Des 88: 756-765 (2016)
Zhejiang Hospital
Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors.EBI
Bioorg Med Chem 24: 3643-8 (2016)
Universit£
Synthetic sulfoglycolipids targeting the serine-threonine protein kinase Akt.EBI
Bioorg Med Chem 24: 3396-405 (2016)
University of Milano-Bicocca
Trisubstituted Pyrimidines as Efficacious and Fast-Acting Antimalarials.EBI
J Med Chem 59: 6101-20 (2016)
University of Dundee
Synthesis and biological evaluation of novel N-arylidenequinoline-3-carbohydrazides as potent▀-glucuronidase inhibitors.EBI
Bioorg Med Chem 24: 3696-704 (2016)
Universiti Teknologi Mara (Uitm)
Design and synthesis of dual 5-HT1A and 5-HT7 receptor ligands.EBI
Bioorg Med Chem 24: 3464-71 (2016)
Florida A&M University
Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.EBI
J Med Chem 59: 6470-9 (2016)
Heptares Therapeutics
Inhibition of Plasmodium falciparum Hsp90 Contributes to the Antimalarial Activities of Aminoalcohol-carbazoles.EBI
J Med Chem 59: 6344-52 (2016)
Universit£
Cupriphilic compounds to aid in proteasome inhibition.EBI
Bioorg Med Chem Lett 26: 3826-9 (2016)
University of South Florida
Enriching screening libraries with bioactive fragment space.EBI
Bioorg Med Chem Lett 26: 3594-7 (2016)
Beijing University of Technology
Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1).EBI
J Med Chem 59: 6248-64 (2016)
Bristol-Myers Squibb
Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.EBI
J Med Chem 59: 6531-46 (2016)
University of Washington
Fatty Acid Amide Hydrolase (FAAH), Acetylcholinesterase (AChE), and Butyrylcholinesterase (BuChE): Networked Targets for the Development of Carbamates as Potential Anti-Alzheimer's Disease Agents.EBI
J Med Chem 59: 6387-406 (2016)
Alma Mater Studiorum-University of Bologna
Development of Novel Alkoxyisoxazoles as Sigma-1 Receptor Antagonists with Antinociceptive Efficacy.EBI
J Med Chem 59: 6329-43 (2016)
East China Normal University
Chromenopyrazole, a Versatile Cannabinoid Scaffold with in Vivo Activity in a Model of Multiple Sclerosis.EBI
J Med Chem 59: 6753-6771 (2016)
Instituto De Qu£Mica M£Dica
Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.EBI
J Med Chem 59: 6493-500 (2016)
University of Connecticut
Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.EBI
J Med Chem 59: 6455-69 (2016)
Arqule
1,2-Benzisothiazole Derivatives Bearing 4-, 5-, or 6-Alkyl/arylcarboxamide Moieties Inhibit Carbonic Anhydrase Isoform IX (CAIX) and Cell Proliferation under Hypoxic Conditions.EBI
J Med Chem 59: 6547-52 (2016)
Universit£
Capture-Tag-Release: A Strategy for Small Molecule Labeling of Native Enzymes.BDB
Chembiochem 17: 1602-5 (2016)
Fairfield University
Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket.EBI
Bioorg Med Chem 24: 3447-55 (2016)
Takeda Pharmaceutical
Rational design and synthesis of novel anti-prostate cancer agents bearing a 3,5-bis-trifluoromethylphenyl moiety.EBI
Bioorg Med Chem Lett 26: 3636-40 (2016)
Cardiff University
[Dmt(1)]DALDA analogues modified with tyrosine analogues at position 1.EBI
Bioorg Med Chem Lett 26: 3629-31 (2016)
Nanjing Medical University
Depsidones from Lichens as Natural Product Inhibitors of M-Phase Phosphoprotein 1, a Human Kinesin Required for Cytokinesis.EBI
J Nat Prod 79: 1576-85 (2016)
University College London
The"Cyclopropyl Fragment" is a Versatile Player that Frequently Appears in Preclinical/Clinical Drug Molecules.EBI
J Med Chem 59: 8712-8756 (2016)
St. John'S University
Microwave assisted synthesis of novel acridine-acetazolamide conjugates and investigation of their inhibition effects on human carbonic anhydrase isoforms hCA I, II, IV and VII.EBI
Bioorg Med Chem 24: 3548-55 (2016)
Dumlupinar University
Development of novel NK3 receptor antagonists with reduced environmental impact.EBI
Bioorg Med Chem 24: 3494-500 (2016)
Kyoto University
Systematic N-methylation of oxytocin: Impact on pharmacology and intramolecular hydrogen bonding network.EBI
Bioorg Med Chem 24: 3513-20 (2016)
Pfizer
Benzamide capped peptidomimetics as non-ATP competitive inhibitors of CDK2 using the REPLACE strategy.EBI
Bioorg Med Chem Lett 26: 3754-60 (2016)
University of South Carolina
New 1,3-thiazole derivatives and their biological and ultrastructural effects on Trypanosoma cruzi.EBI
Eur J Med Chem 121: 387-398 (2016)
Universidade Federal De Pernambuco
Optically Pure, Structural, and Fluorescent Analogues of a Dimeric Y4 Receptor Agonist Derived by an Olefin Metathesis Approach.EBI
J Med Chem 59: 6059-69 (2016)
Monash University (Parkville Campus)
Fragment-Based Identification of Influenza Endonuclease Inhibitors.EBI
J Med Chem 59: 6444-54 (2016)
University of California San Diego
N-Nitrosulfonamides: A new chemotype for carbonic anhydrase inhibition.EBI
Bioorg Med Chem 24: 3612-7 (2016)
Universit£
Discovery of anti-cancer activity for benzo[1,2,4]triazin-7-ones: Very strong correlation to pleurotin and thioredoxin reductase inhibition.EBI
Bioorg Med Chem 24: 3565-70 (2016)
National University of Ireland
Design and synthesis of novel anti-Alzheimer's agents: Acridine-chromenone and quinoline-chromenone hybrids.BDB
Bioorg Chem 67: 84-94 (2016)
Tehran University of Medical Sciences
Identification of novel EZH2 inhibitors through pharmacophore-based virtual screening and biological assays.EBI
Bioorg Med Chem Lett 26: 3813-7 (2016)
College of Chemical and Environmental Engineering
Synthesis and bioactivity of pyrazole and triazole derivatives as potential PDE4 inhibitors.EBI
Bioorg Med Chem Lett 26: 3632-5 (2016)
South China Agricultural University
Rational design, synthesis, anti-HIV-1 RT and antimicrobial activity of novel 3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(piperazin-1-yl)propan-1-one derivatives.BDB
Bioorg Chem 67: 75-83 (2016)
Birla Institute of Technology
Discovery of 3-benzyl-1,3-benzoxazine-2,4-dione analogues as allosteric mitogen-activated kinase kinase (MEK) inhibitors and anti-enterovirus 71 (EV71) agents.EBI
Bioorg Med Chem 24: 3472-82 (2016)
Peking University Health Science Center
Synthesis and biological evaluation of new [1,2,4]triazolo[4,3-a]pyridine derivatives as potential c-Met inhibitors.EBI
Bioorg Med Chem 24: 3483-93 (2016)
Southeast University
Toward discovery of mutant EGFR inhibitors; Design, synthesis and in vitro biological evaluation of potent 4-arylamino-6-ureido and thioureido-quinazoline derivatives.EBI
Bioorg Med Chem 24: 3501-12 (2016)
Harvard Medical School
Evaluation of bisbenzamidines as inhibitors for matriptase-2.EBI
Bioorg Med Chem Lett 26: 3741-5 (2016)
University of Bonn
2,5-Diaryloxadiazoles and their precursors as novel inhibitors of cathepsins B, H and L.BDB
Bioorg Chem 67: 64-74 (2016)
Kurukshetra University
Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.EBI
J Med Chem 59: 6407-30 (2016)
Amgen
Discovery of a 2-hydroxyacetophenone derivative as an outstanding linker to enhance potency and▀-selectivity of liver X receptor agonist.EBI
Bioorg Med Chem 24: 3436-46 (2016)
Kowa
Anion inhibition profiles of a-, ▀- and ┐-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae.BDB
Bioorg Med Chem 24: 3413-7 (2016)
Universit£
3-Hydroxypyrimidine-2,4-dione-5-N-benzylcarboxamides Potently Inhibit HIV-1 Integrase and RNase H.EBI
J Med Chem 59: 6136-48 (2016)
University of Minnesota
New indolizine-chalcones as potent inhibitors of human farnesyltransferase: Design, synthesis and biological evaluation.EBI
Bioorg Med Chem Lett 26: 3730-4 (2016)
Alexandru Ioan Cuza University
4-amino-6-alkyloxy-2-alkylthiopyrimidine derivatives as novel non-nucleoside agonists for the adenosine A1 receptor.BDB
Chem Biol Drug Des 88: 724-729 (2016)
Universit?? Di Napoli Federico Ii
Structure-activity relationship studies of benzyl-, phenethyl-, and pyridyl-substituted tetrahydroacridin-9-amines as multitargeting agents to treat Alzheimer's disease.BDB
Chem Biol Drug Des 88: 710-723 (2016)
University of Waterloo
Polycyclic Polyprenylated Acylphloroglucinol Congeners from Hypericum scabrum.EBI
J Nat Prod 79: 1538-47 (2016)
Chinese Academy of Medical Sciences and Peking Union Medical College
Synthesis and Investigation of Tetrahydro-?-carboline Derivatives as Inhibitors of the Breast Cancer Resistance Protein (ABCG2).EBI
J Med Chem 59: 6121-35 (2016)
University of Bonn
Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines.EBI
J Med Chem 59: 6370-86 (2016)
Philipps University Marburg
Discovery of the Potent and Selective M1 PAM-Agonist N-[(3R,4S)-3-Hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)benzyl]pyridine-2-carboxamide (PF-06767832): Evaluation of Efficacy and Cholinergic Side Effects.EBI
J Med Chem 59: 6313-28 (2016)
Pfizer
Indole-2-carboxamide-based MmpL3 Inhibitors Show Exceptional Antitubercular Activity in an Animal Model of Tuberculosis Infection.EBI
J Med Chem 59: 6232-47 (2016)
Chicago State University
Incorporation of Phosphonate into Benzonaphthyridine Toll-like Receptor 7 Agonists for Adsorption to Aluminum Hydroxide.EBI
J Med Chem 59: 5868-78 (2016)
Genomics Institute of Novartis Research Foundation
Bacterial Peptide deformylase inhibition of cyano substituted biaryl analogs: Synthesis, in vitro biological evaluation, molecular docking study and in silico ADME prediction.EBI
Bioorg Med Chem 24: 3456-63 (2016)
Y.B. Chavan College of Pharmacy
Novel substituted isoxazole FXR agonists with cyclopropyl, hydroxycyclobutyl and hydroxyazetidinyl linkers: Understanding and improving key determinants of pharmacological properties.EBI
Bioorg Med Chem Lett 26: 3746-53 (2016)
Phenex Pharmaceuticals
New cinnamic - N-benzylpiperidine and cinnamic - N,N-dibenzyl(N-methyl)amine hybrids as Alzheimer-directed multitarget drugs with antioxidant, cholinergic, neuroprotective and neurogenic properties.EBI
Eur J Med Chem 121: 376-386 (2016)
Instituto De Qu£Mica M£Dica
Nitrobenzofurazan derivatives of N'-hydroxyamidines as potent inhibitors of indoleamine-2,3-dioxygenase 1.EBI
Eur J Med Chem 121: 364-375 (2016)
Indian Institute of Technology Guwahati
Structural optimization of pyridine-type DAPY derivatives to exploit the tolerant regions of the NNRTI binding pocket.EBI
Eur J Med Chem 121: 352-363 (2016)
Shandong University
Hit to lead optimization of a series of N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamides as monoacylglycerol lipase inhibitors with potential anticancer activity.EBI
Eur J Med Chem 121: 318-330 (2016)
Hamdard University
Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.EBI
Eur J Med Chem 121: 294-299 (2016)
Zhejiang University
Design, synthesis, and pharmacological evaluation of multitarget-directed ligands with both serotonergic subtype 4 receptor (5-HT4R) partial agonist and 5-HT6R antagonist activities, as potential treatment of Alzheimer's disease.EBI
Eur J Med Chem 121: 283-293 (2016)
Normandie Universit£
Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants.EBI
J Med Chem 59: 6187-200 (2016)
East China University of Science & Technology
Endothelin-Receptor Antagonists beyond Pulmonary Arterial Hypertension: Cancer and Fibrosis.EBI
J Med Chem 59: 8168-88 (2016)
Centre Hospitalier Universitaire Vaudois (Chuv)
A combined ligand- and structure-based approach for the identification of rilmenidine-derived compounds which synergize the antitumor effects of doxorubicin.EBI
Bioorg Med Chem 24: 3174-83 (2016)
University of Belgrade
Thiazolo[3,2-a]benzimidazol-3(2H)-one derivatives: Structure-activity relationships of selective nucleotide pyrophosphatase/phosphodiesterase1 (NPP1) inhibitors.EBI
Bioorg Med Chem 24: 3157-65 (2016)
University of Bonn
Aryl morpholino triazenes inhibit cytochrome P450 1A1 and 1B1.EBI
Bioorg Med Chem Lett 26: 3243-3247 (2016)
Whittier College
3-aminopyrazolopyrazine derivatives as spleen tyrosine kinase inhibitors.BDB
Chem Biol Drug Des 88: 690-698 (2016)
Jilin University
Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.EBI
Bioorg Med Chem Lett 26: 3232-3236 (2016)
Georgia State University
New bifunctional antioxidant/?1 agonist ligands: Preliminary chemico-physical and biological evaluation.EBI
Bioorg Med Chem 24: 3149-56 (2016)
University of Catania
Structure-activity relationships of dibenzoylhydrazines for the inhibition of P-glycoprotein-mediated quinidine transport.EBI
Bioorg Med Chem 24: 3184-91 (2016)
Kyoto University
New halogenated tris-(phenylalkyl)amines as h5-HT2B receptor ligands.EBI
Bioorg Med Chem Lett 26: 3216-3219 (2016)
City University of New York
Identification of potent and selective retinoic acid receptor gamma (RAR┐) antagonists for the treatment of osteoarthritis pain using structure based drug design.EBI
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Eli Lilly
Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability.EBI
Bioorg Med Chem Lett 26: 3213-3215 (2016)
Konkuk University
Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective, and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase.EBI
J Med Chem 59: 6281-92 (2016)
Astrazeneca
Novel c-Met inhibitory olive secoiridoid semisynthetic analogs for the control of invasive breast cancer.EBI
Eur J Med Chem 118: 299-315 (2016)
University of Louisiana At Monroe
Discovery of indole inhibitors of chemokine receptor 9 (CCR9).EBI
Bioorg Med Chem Lett 26: 3322-3325 (2016)
Cubist Pharmaceuticals
Discovery of hydroxyl 1,2-diphenylethanamine analogs as potent cholesterol ester transfer protein inhibitors.EBI
Bioorg Med Chem Lett 26: 3278-3281 (2016)
Bristol-Myers Squibb Pharmaceutical Research Institute
Synthesis and structure-activity relationship of 2,6-disubstituted pyridine derivatives as inhibitors of ?-amyloid-42 aggregation.EBI
Bioorg Med Chem Lett 26: 3330-3335 (2016)
Ac Immune
Synthesis and biological activity of pyrazole analogues of the staurosporine aglycon K252c.EBI
Bioorg Med Chem 24: 3116-24 (2016)
Universit£
Design, synthesis, and biological evaluation of a novel series of peripheral-selective noradrenaline reuptake inhibitors-Part 2.EBI
Bioorg Med Chem 24: 3207-17 (2016)
Takeda Pharmaceutical
Development of hydroxy-based sphingosine kinase inhibitors and anti-inflammation in dextran sodium sulfate induced colitis in mice.EBI
Bioorg Med Chem 24: 3218-30 (2016)
Peking Union Medical College and Chinese Academy of Medical Sciences
A Selective and Slowly Reversible Inhibitor of l-Type Amino Acid Transporter 1 (LAT1) Potentiates Antiproliferative Drug Efficacy in Cancer Cells.EBI
J Med Chem 59: 5740-51 (2016)
University of Eastern Finland
Monothiocarbamates Strongly Inhibit Carbonic Anhydrases in Vitro and Possess Intraocular Pressure Lowering Activity in an Animal Model of Glaucoma.EBI
J Med Chem 59: 5857-67 (2016)
Universit£
Benzylpiperidine-Linked Diarylthiazoles as Potential Anti-Alzheimer's Agents: Synthesis and Biological Evaluation.EBI
J Med Chem 59: 5823-46 (2016)
The Maharaja Sayajirao University of Baroda
Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase.BDB
Biochemistry 55: 3702-7 (2016)
University of California Irvine
Identification, characterization, kinetics, and molecular docking of flavonoid constituents from Archidendron clypearia (Jack.) Nielsen leaves and twigs.EBI
Bioorg Med Chem 24: 3125-32 (2016)
Chungnam National University
GSK114: A selective inhibitor for elucidating the biological role of TNNI3K.EBI
Bioorg Med Chem Lett 26: 3355-3358 (2016)
Glaxosmithkline
Discovery of New Chemical Entities for Old Targets: Insights on the Lead Optimization of Chromone-Based Monoamine Oxidase B (MAO-B) Inhibitors.EBI
J Med Chem 59: 5879-93 (2016)
University of Porto
Coumarin carboxylic acids as monocarboxylate transporter 1 inhibitors: In vitro and in vivo studies as potential anticancer agents.EBI
Bioorg Med Chem Lett 26: 3282-3286 (2016)
University of Minnesota
Novel 5-substituted-2-anilinoquinolines with 3-(morpholino or 4-methylpiperazin-1-yl)propoxy moiety as broad spectrum antiproliferative agents: Synthesis, cell based assays and kinase screening.EBI
Bioorg Med Chem Lett 26: 3307-3312 (2016)
Korea Institute of Science & Technology (Kist)
Discovery and development of benzo-[1,2,4]-triazolo-[1,4]-oxazepine GPR142 agonists for the treatment of diabetes.EBI
Bioorg Med Chem Lett 26: 2947-2951 (2016)
Merck Research Laboratories
Novel approaches to map small molecule-target interactions.EBI
Bioorg Med Chem 24: 3232-45 (2016)
Max Planck Institute of Molecular Physiology
Identification, synthesis and evaluation of SARS-CoV and MERS-CoV 3C-like protease inhibitors.EBI
Bioorg Med Chem 24: 3035-3042 (2016)
Academia Sinica
Recent advances in the discovery of heparanase inhibitors as anti-cancer agents.EBI
NA
Shandong University
A critical review of both the synthesis approach and the receptor profile of the 8-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide and analogue derivatives.EBI
Eur J Med Chem 121: 194-208 (2016)
Neuroscienze Pharmaness S.C.A R.L.
Uncoupling the Structure-Activity Relationships of ?2 Adrenergic Receptor Ligands from Membrane Binding.EBI
J Med Chem 59: 5780-9 (2016)
Novartis Institutes For Biomedical Research
Synthesis, biological evaluation, and physicochemical property assessment of 4-substituted 2-phenylaminoquinazolines as Mer tyrosine kinase inhibitors.EBI
Bioorg Med Chem 24: 3083-3092 (2016)
Beijing Institute of Pharmacology & Toxicology
Design, biological evaluation and 3D QSAR studies of novel dioxin-containing triaryl pyrazoline derivatives as potential B-Raf inhibitors.EBI
Bioorg Med Chem 24: 3052-3061 (2016)
Nanjing University
Natural cholinesterase inhibitors from Myristica cinnamomea King.EBI
Bioorg Med Chem Lett 26: 3785-92 (2016)
University of Malaya
Synthesis and biological evaluation of novel 4-hydroxytamoxifen analogs as estrogen-related receptor gamma inverse agonists.EBI
Eur J Med Chem 120: 338-52 (2016)
Daegu-Gyeongbuk Medical Innovation Foundation
Chiral 6-aryl-furo[2,3-d]pyrimidin-4-amines as EGFR inhibitors.EBI
Eur J Med Chem 119: 278-99 (2016)
Norwegian University of Science and Technology
PXD101 analogs with L-phenylglycine-containing branched cap as histone deacetylase inhibitors.BDB
Chem Biol Drug Des 88: 574-84 (2016)
Shandong University
Synthesis of 4-(thiazol-2-ylamino)-benzenesulfonamides with carbonic anhydrase I, II and IX inhibitory activity and cytotoxic effects against breast cancer cell lines.EBI
Bioorg Med Chem 24: 3043-3051 (2016)
Cairo University
Discovery of new [1,4]dioxino[2,3-f]quinazoline-based inhibitors of EGFR including the T790M/L858R mutant.EBI
Bioorg Med Chem 24: 2871-2881 (2016)
Beijing University of Technology
Evaluation of N-substituent structural variations in opioid receptor profile of LP1.EBI
Bioorg Med Chem 24: 2832-42 (2016)
University of Catania
Discovery and characterization of a novel series of N-phenylsulfonyl-1H-pyrrole picolinamides as positive allosteric modulators of the metabotropic glutamate receptor 4 (mGlu4).EBI
Bioorg Med Chem Lett 26: 2984-7 (2016)
Vanderbilt University Medical Center
Tetrahydroisoquinoline-Derived Urea and 2,5-Diketopiperazine Derivatives as Selective Antagonists of the Transient Receptor Potential Melastatin 8 (TRPM8) Channel Receptor and Antiprostate Cancer Agents.EBI
J Med Chem 59: 5661-83 (2016)
National Research Council
Functional reversal of (-)-Stepholidine analogues by replacement of benzazepine substructure using the ring-expansion strategy.BDB
Chem Biol Drug Des 88: 599-607 (2016)
Fudan University
Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies.BDB
Bioorg Chem 67: 9-17 (2016)
Aimst University
New cholinesterase inhibitors for Alzheimer's disease: Structure Activity Studies (SARs) and molecular docking of isoquinolone and azepanone derivatives.BDB
Bioorg Chem 67: 1-8 (2016)
Universidade De Evora
Novel free fatty acid receptor 1 (GPR40) agonists based on 1,3,4-thiadiazole-2-carboxamide scaffold.EBI
Bioorg Med Chem 24: 2954-2963 (2016)
Saint Petersburg State University
Lovastatin Analogues from the Soil-Derived Fungus Aspergillus sclerotiorum PSU-RSPG178.EBI
J Nat Prod 79: 1500-7 (2016)
Mahidol University
Synthesis and screening of triazolopyrimidine scaffold as multi-functional agents for Alzheimer's disease therapies.EBI
Eur J Med Chem 119: 260-77 (2016)
Jamia Millia Islamia (Central University)
Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.EBI
J Med Chem 59: 5650-60 (2016)
Array Biopharma
Discovery of 7-(Prolinol-N-yl)-2-phenylamino-thiazolo[5,4-d]pyrimidines as Novel Non-Nucleoside Partial Agonists for the A2A Adenosine Receptor: Prediction from Molecular Modeling.EBI
J Med Chem 59: 5922-8 (2016)
Julius-Maximilians-Universit£T W£Rzburg
Structural and Functional Analysis of the Allosteric Inhibition of IRE1a with ATP-Competitive Ligands.BDB
ACS Chem Biol 11: 2195-205 (2016)
University of Washington
Biochemical and Cellular Characterization and Inhibitor Discovery of Pseudomonas aeruginosa 15-Lipoxygenase.BDB
Biochemistry 55: 3329-40 (2016)
University of California Santa Cruz
Structure-Based Design of Potent Nicotinamide Phosphoribosyltransferase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities.EBI
J Med Chem 59: 5766-79 (2016)
Chinese Academy of Sciences
Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo.BDB
ACS Chem Biol 11: 2105-11 (2016)
Broad Institute
High Affinity Agonists of the Neuropeptide Y (NPY) Y4 Receptor Derived from the C-Terminal Pentapeptide of Human Pancreatic Polypeptide (hPP): Synthesis, Stereochemical Discrimination, and Radiolabeling.EBI
J Med Chem 59: 6045-58 (2016)
University of Regensburg
Design, synthesis and inhibitory activity against human dihydroorotate dehydrogenase (hDHODH) of 1,3-benzoazole derivatives bearing amide units.EBI
Bioorg Med Chem Lett 26: 3064-6 (2016)
East China University of Science and Technology
Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.EBI
J Med Chem 59: 5391-402 (2016)
Genentech
Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.EBI
J Med Chem 59: 5911-6 (2016)
Chinese Academy of Sciences
Discovery of novel 7-azaindoles as PDK1 inhibitors.EBI
Bioorg Med Chem Lett 26: 3073-80 (2016)
Merck
Protective effect of novel substituted nicotine hydrazide analogues against hypoxic brain injury in neonatal rats via inhibition of caspase.EBI
Bioorg Med Chem Lett 26: 3195-201 (2016)
The Fifth Affiliated Hospital of Guangzhou Medical University
Synthesis and anticholinesterase activity of coumarin-3-carboxamides bearing tryptamine moiety.EBI
Eur J Med Chem 121: 40-46 (2016)
Islamic Azad University
Synthesis, characterization and antitubercular activities of novel pyrrolyl hydrazones and their Cu-complexes.EBI
Eur J Med Chem 121: 21-39 (2016)
S.E.T'S College of Pharmacy
Straightforward synthesis of 2,4,6-trisubstituted 1,3,5-triazine compounds targeting cysteine cathepsins K and S.EBI
Eur J Med Chem 121: 12-20 (2016)
Cnrs
Structural analysis of human KDM5B guides histone demethylase inhibitor development.BDB
Nat Chem Biol 12: 539-45 (2016)
University of Oxford
An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells.BDB
Nat Chem Biol 12: 531-8 (2016)
Genentech
Design, Synthesis, and Characterization of Cyclic Peptidomimetics of the Inducible Nitric Oxide Synthase Binding Epitope That Disrupt the Protein-Protein Interaction Involving SPRY Domain-Containing Suppressor of Cytokine Signaling Box Protein (SPSB) 2 and Inducible Nitric Oxide Synthase.EBI
J Med Chem 59: 5799-809 (2016)
Monash University
Imidazopyridine and Pyrazolopiperidine Derivatives as Novel Inhibitors of Serine Palmitoyl Transferase.EBI
J Med Chem 59: 5904-10 (2016)
Eli Lilly
Design, Synthesis, and Preclinical Evaluation of 4-Substituted-5-methyl-furo[2,3-d]pyrimidines as Microtubule Targeting Agents That Are Effective against Multidrug Resistant Cancer Cells.EBI
J Med Chem 59: 5752-65 (2016)
Duquesne University
1,4-Diphenalkylpiperidines: A new scaffold for the design of potent inhibitors of the vesicular monoamine transporter-2.EBI
Bioorg Med Chem Lett 26: 2997-3000 (2016)
University of Kentucky
Conformational analysis of 2-substituted piperazines.EBI
Bioorg Med Chem Lett 26: 3010-3 (2016)
Retrophin
Tasiamide F, a potent inhibitor of cathepsins D and E from a marine cyanobacterium.EBI
Bioorg Med Chem 24: 3276-82 (2016)
University of Florida
Structure-based discovery of novel 4,5,6-trisubstituted pyrimidines as potent covalent Bruton's tyrosine kinase inhibitors.EBI
Bioorg Med Chem Lett 26: 3052-9 (2016)
China Pharmaceutical University
Synthesis of novel 17-(4'-formyl)pyrazolylandrosta-5,16-dienes and their derivatives as potent 17a-hydroxylase/C17,20-lyase inhibitors or antiproliferative agents depending on the substitution pattern of the heteroring.EBI
Eur J Med Chem 120: 284-95 (2016)
University of Szeged
Design and synthesis of novel benzoxazole analogs as Aurora B kinase inhibitors.EBI
Bioorg Med Chem Lett 26: 3067-72 (2016)
Sookmyung Women'S University
Metronidazole containing pyrazole derivatives potently inhibit tyrosyl-tRNA synthetase: design, synthesis, and biological evaluation.BDB
Chem Biol Drug Des 88: 592-8 (2016)
Nanjing University
Allosteric Glutaminase Inhibitors Based on a 1,4-Di(5-amino-1,3,4-thiadiazol-2-yl)butane Scaffold.EBI
ACS Med Chem Lett 7: 520-4 (2016)
Johns Hopkins University
Use of Osmotic Pumps to Establish the Pharmacokinetic-Pharmacodynamic Relationship and Define Desirable Human Performance Characteristics for Aggrecanase Inhibitors.EBI
J Med Chem 59: 5810-22 (2016)
Eli Lilly
2,3,4-Trihydroxybenzyl-hydrazide analogues as novel potent coxsackievirus B3 3C protease inhibitors.EBI
Eur J Med Chem 120: 202-16 (2016)
Gwangju Institute of Science and Technology (Gist)
The therapeutic voyage of pyrazole and its analogs: A review.EBI
Eur J Med Chem 120: 170-201 (2016)
Jamia Hamdard
Targeting the Motion of Shikimate Kinase: Development of Competitive Inhibitors that Stabilize an Inactive Open Conformation of the Enzyme.EBI
J Med Chem 59: 5471-87 (2016)
Universidade De Santiago De Compostela
Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).EBI
ACS Med Chem Lett 7: 531-6 (2016)
Constellation Pharmaceuticals
Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus.EBI
ACS Med Chem Lett 7: 525-30 (2016)
Boehringer Ingelheim (Canada)
Utilization of Structure-Based Design to Identify Novel, Irreversible Inhibitors of EGFR Harboring the T790M Mutation.EBI
ACS Med Chem Lett 7: 514-9 (2016)
Astrazeneca
Structure-Based Design of 1,4-Dibenzoylpiperazines as ?-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors.EBI
ACS Med Chem Lett 7: 508-13 (2016)
University of Utah
Structure-Activity Relationship Studies of Isomeric 2,4-Diaminoquinazolines on▀-Amyloid Aggregation Kinetics.EBI
ACS Med Chem Lett 7: 502-7 (2016)
University of Waterloo
Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.EBI
ACS Med Chem Lett 7: 498-501 (2016)
Merck Research Laboratories
Identification of a Potent and Selective GPR4 Antagonist as a Drug Lead for the Treatment of Myocardial Infarction.EBI
ACS Med Chem Lett 7: 493-7 (2016)
Hokkaido University
Structural Requirements and Docking Analysis of Amidine-Based Sphingosine Kinase 1 Inhibitors Containing Oxadiazoles.EBI
ACS Med Chem Lett 7: 487-92 (2016)
University of Virginia
Discovery of a Highly Potent and Selective Indenoindolone Type 1 Pan-FLT3 Inhibitor.EBI
ACS Med Chem Lett 7: 476-81 (2016)
Harvard Medical School
Design, Synthesis, and Evaluation of Donepezil-Like Compounds as AChE and BACE-1 Inhibitors.EBI
ACS Med Chem Lett 7: 470-5 (2016)
Universit£
Discovery of IWP-051, a Novel Orally Bioavailable sGC Stimulator with Once-Daily Dosing Potential in Humans.EBI
ACS Med Chem Lett 7: 465-9 (2016)
Ironwood Pharmaceuticals
Functionalized N,N-Diphenylamines as Potent and Selective EPAC2 Inhibitors.EBI
ACS Med Chem Lett 7: 460-4 (2016)
University of Texas Medical Branch
2D 3D