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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 KGaA
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£ degli Studi di Parma
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£ Paris-Saclay
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 Co.
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)
Pvt. Ltd.
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 & Co.
Identification of an Orally Efficacious GPR40/FFAR1 Receptor Agonist.EBI
ACS Med Chem Lett 7: 1134-1138 (2016)
Cadila Healthcare Ltd.
Discovery of Potent and Selective Leads againstEBI
ACS Med Chem Lett 7: 1124-1129 (2016)
Turing Pharmaceuticals AG
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 & Co.
Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.EBI
ACS Med Chem Lett 7: 1102-1106 (2016)
AbbVie Inc
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 Co.
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 Inc
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 LLC
Macrocyclic Inhibitors of ERK2 Kinase.EBI
ACS Med Chem Lett 7: 1020-1021 (2016)
Dart Neuroscience LLC
Pyrazole Inhibitors of GluN2B NMDA Receptor Subunit.EBI
ACS Med Chem Lett 7: 1018-1019 (2016)
Dart Neuroscience LLC
Quinazoline Carboxamides as Selective Antagonists of Adenosine 2A Receptor.EBI
ACS Med Chem Lett 7: 1014-1015 (2016)
Dart Neuroscience LLC
Imidazopyridazine Inhibitors of PI3K▀.EBI
ACS Med Chem Lett 7: 1012-1013 (2016)
Dart Neuroscience LLC
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
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 Inc
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 Company Limited
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 Co., Ltd
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£ Catholique de Louvain
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 Co.
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£ degli Studi di Firenze
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£ degli Studi di Firenze
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£ degli Studi di Firenze
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 Co. Ltd
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 Ltd
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 Inc.
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 Pvt. Ltd
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; Universit£ degliStudi di Firenze
Triazolopyridine ethers as potent, orally active mGluEBI
Bioorg Med Chem 25: 496-513 (2017)
Bristol-Myers Squibb Co.
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 and Company
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 & Co.
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 Corporation
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 Inc
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 Limited
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 Co., Ltd
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 Co.
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 Ltd
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 Inc
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 and Company
[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 Co., Ltd
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£ degli Studi di Milano
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 Co.
Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.EBI
Bioorg Med Chem Lett 27: 114-120 (2017)
Merck & Co.
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 & Co.
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 and 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£ degli Studi di Milano
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 Inc
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 Inc
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 Co. Ltd
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 School of Pharmacy
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 Co. Ltd
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 and Company
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 Inc
Small-molecule factor D inhibitors targeting the alternative complement pathway.BDB
Nat Chem Biol 12: 1105-1110 (2016)
Novartis Pharma AG
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 Co., Ltd
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 Inc
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 Co., Ltd
Discovery of a Series of 5,11-Dihydro-6EBI
ACS Med Chem Lett 7: 908-912 (2016)
Dana-Farber Cancer Institute Inc
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) Pvt. Ltd.
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) Pvt. Ltd.
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 Inc
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£ de Lille
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 Inc.
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£ d'Orl£ans & CNRS
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£ degli Studi di Siena
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, Inc.
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£ Bourgogne Franche-Comt£
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 Inc
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 Co.
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 Co., Ltd
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 Pvt. Ltd
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 Ltd
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 Inc
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 Co., Ltd.
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 Inc
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 UK LIMITED
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 s.r.l.
Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late IEBI
J Med Chem 59: 9005-9017 (2016)
Gilead Sciences Inc.
Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.EBI
J Med Chem 59: 9390-9408 (2016)
Fimbrion Therapeutics, Inc.
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£ degli Studi di Modena e Reggio Emilia
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"A. Moro"
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 Co., Ltd
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 AG
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 LLC
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 LLC
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£ di Camerino
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, Inc.
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 Company Ltd.
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 Inc
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 LLC
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, LLC
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 Inc
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 S.r.l.
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£ di Palermo
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 Inc
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
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 & Co., Ltd
▀-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 & Co., Ltd
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£ degli Studi di Sassari
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£ de Lorraine
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 Company Ltd.
Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.BDB
Biochemistry 55: 5587-5594 (2016)
University of California Irvine
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 GmbH
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£ University
Design and Synthesis of Potent Quinazolines as Selective▀-Glucocerebrosidase Modulators.EBI
J Med Chem 59: 8508-20 (2016)
Northwestern University Feinberg School of Medicine
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 LLC
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 Inc.
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
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 Institutes of Science and 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 Co., Ltd
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 NV
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 Ltd
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 Company Ltd
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 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 s.r.l
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) Ltd
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 Ltd
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) Pvt. Ltd.
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) Pvt. Ltd.
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 Co.
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 and Company
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 LLC
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 Inc.
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)
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 Inc
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£ Libre de Bruxelles
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, Inc.
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)
Wroc?aw 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 Co. Ltd
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£ degli Studi di Bari"Aldo Moro"
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 Company
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 Institutes of Science and 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 Co., Ltd.
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 Inc
a-Glucosidase anda-Amylase Inhibitors from Arcytophyllum thymifolium.EBI
J Nat Prod 79: 2104-12 (2016)
Universit£ degli Studi della Basilicata
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 Co., Ltd
Discovery of ravidasvir (PPI-668) as a potent pan-genotypic HCV NS5A inhibitor.EBI
Bioorg Med Chem Lett 26: 4508-4512 (2016)
Presidio Pharmaceuticals, Inc.
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, Inc.
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
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 Inc.
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 Plc
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
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 Co.
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 Co., Ltd
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 KGaA
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 Inc
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
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, Inc.
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 Company
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 AG
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 Company Limited
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£ degli Studi di Firenze
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 Co., Ltd
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 Co. Ltd
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 Ltd.
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 Inc
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 GmbH & Co. KG
Novel Series of Potent Glucokinase Activators Leading to the Discovery of AM-2394.EBI
ACS Med Chem Lett 7: 714-8 (2016)
Amgen Inc.
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 Inc.
5-Alkyl-2-urea-Substituted Pyridines: Identification of Efficacious Glucokinase Activators with Improved Properties.EBI
ACS Med Chem Lett 7: 666-70 (2016)
Amgen Inc.
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) Pvt. Ltd.
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£ de Sherbrooke
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 Co., Ltd
Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.EBI
Eur J Med Chem 121: 747-757 (2016)
Universit£ di Siena
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 L.L.C.
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 Plc
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 Plc
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
Synthesis of novel disulfide and sulfone hybrid scaffolds as potent ▀-glucuronidase inhibitor.BDB
Bioorg Chem 68: 15-22 (2016)
Universiti Teknologi MARA
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
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 Inc
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£ degli Studi di Firenze
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£ di Catania
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£ Lyon 1
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 Inc
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 Co., Ltd
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, Inc
Selective 5-HT2C receptor agonists: Design and synthesis of pyridazine-fused azepines.EBI
Bioorg Med Chem Lett 26: 4117-21 (2016)
Pfizer Inc.
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 Inc
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£ Lyon 1
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£ degli Studi di Siena
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 Inc
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£ degli Studi di Messina
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 GmbH
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£ del Piemonte Orientale
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£ degli Studi di Bari "Aldo Moro"
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£ Paris-Sud
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 Co., Ltd
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£ degli Studi di Torino Via P. Giuria 9
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 Inc.
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)
UniversitÓ 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 & Co., Inc.
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)
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark.
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 Co., Ltd.
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 Co.
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) Pvt. Ltd.
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 Co., Ltd
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 Ltd
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£ degli Studi di Bari"A. Moro"
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£ degli Studi di Firenze
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 Ltd
Inhibition of Plasmodium falciparum Hsp90 Contributes to the Antimalarial Activities of Aminoalcohol-carbazoles.EBI
J Med Chem 59: 6344-52 (2016)
Universit£ de Gen£ve
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 Inc.
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£ di Pisa
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 Co., Ltd
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 Inc
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£ degli Studi di Firenze
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 Inc.
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 Co., Ltd
Anion inhibition profiles of a-, ▀- and ┐-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae.BDB
Bioorg Med Chem 24: 3413-7 (2016)
Universit£ degli Studi di Firenze
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)
UniversitÓ 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 Inc
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 AG
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 and Company
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 SA
Synthesis and biological activity of pyrazole analogues of the staurosporine aglycon K252c.EBI
Bioorg Med Chem 24: 3116-24 (2016)
Universit£ Clermont Auvergne
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 Co., Ltd
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£ degli Studi di Firenze
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 and 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
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 ╔vora
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 Inc
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 KGaA
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 Inc
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 and Company
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, Inc.
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 and Company
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) Ltd
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£ degli Studi della Magna Gr£cia Viale Europa
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, Inc.
Functionalized N,N-Diphenylamines as Potent and Selective EPAC2 Inhibitors.EBI
ACS Med Chem Lett 7: 460-4 (2016)
University of Texas Medical Branch
Discovery of a Selective Series of Inhibitors of Plasmodium falciparum HDACs.EBI
ACS Med Chem Lett 7: 454-9 (2016)
IRBM Science Park
Inhibitors of Renal Outer Medullary Potassium Channel.EBI
ACS Med Chem Lett 7: 447-8 (2016)
Temple University
Optimization of the phenylurea moiety in a phosphoinositide 3-kinase (PI3K) inhibitor to improve water solubility and the PK profile by introducing a solubilizing group and ortho substituents.EBI
Bioorg Med Chem 24: 2897-2906 (2016)
Chugai Pharmaceutical Co. Ltd
Recent advances in the discovery and development of antibacterial agents targeting the cell-division protein FtsZ.EBI
Bioorg Med Chem 24: 6354-6369 (2016)
Stony Brook University
The SAR of brain penetration for a series of heteroaryl urea FAAH inhibitors.EBI
Bioorg Med Chem Lett 26: 3109-14 (2016)
Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C.
RETRACTED: Design, synthesis, structure-activity relationship and kinase inhibitory activity of substituted 3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ones.EBI
Bioorg Med Chem Lett 26: 3093-7 (2016)
Beni-Suef University
Thiolactomycin-Based Inhibitors of Bacterial ?-Ketoacyl-ACP Synthases with in Vivo Activity.EBI
J Med Chem 59: 5377-90 (2016)
Colorado State University
Design, synthesis, anticoagulant activity evaluation and molecular docking studies of a class of N-ethyl dabigatran derivatives.EBI
Eur J Med Chem 120: 148-59 (2016)
Shanghai Institute of Technology
Structural modifications at the 6-position of thieno[2,3-d]pyrimidines and their effects on potency at FLT3 for treatment of acute myeloid leukemia.EBI
Eur J Med Chem 120: 74-85 (2016)
Yonsei University
Synthesis and biological evaluation of 4-(2-fluorophenoxy)-3,3'-bipyridine derivatives as potential c-met inhibitors.EBI
Eur J Med Chem 120: 37-50 (2016)
Shenyang Pharmaceutical University
Design, synthesis and biological evaluation of novel EGFR/HER2 dual inhibitors bearing a oxazolo[4,5-g]quinazolin-2(1H)-one scaffold.EBI
Eur J Med Chem 120: 26-36 (2016)
China Pharmaceutical University
Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.EBI
J Med Chem 59: 4711-23 (2016)
Novartis Institutes for BioMedical Research
Development of Purine-Based Hydroxamic Acid Derivatives: Potent Histone Deacetylase Inhibitors with Marked in Vitro and in Vivo Antitumor Activities.EBI
J Med Chem 59: 5488-504 (2016)
West China Hospital of Sichuan University
Discovery and optimization of a novel series of highly CNS penetrant M4 PAMs based on a 5,6-dimethyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine core.EBI
Bioorg Med Chem Lett 26: 3029-33 (2016)
Vanderbilt University Medical Center
Design and synthesis of novel hydroxypyridinone derivatives as potential tyrosinase inhibitors.EBI
Bioorg Med Chem Lett 26: 3103-8 (2016)
Zhejiang Gongshang University
Synthesis and evaluation of raloxifene derivatives as a selective estrogen receptor down-regulator.EBI
Bioorg Med Chem 24: 2914-2919 (2016)
National Institute of Health Sciences
Design, synthesis and biological evaluation of novel tetrahydroisoquinoline quaternary derivatives as peripheral┐-opioid receptor agonists.EBI
Bioorg Med Chem 24: 2964-2970 (2016)
China Pharmaceutical University
GroEL/ES inhibitors as potential antibiotics.EBI
Bioorg Med Chem Lett 26: 3127-3134 (2016)
Indiana University
Synthesis, antitumor evaluation and molecular docking studies of [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine derivatives.EBI
Bioorg Med Chem Lett 26: 3042-7 (2016)
Taizhou Vocational & Technical College
Discovery of a novel covalent non-▀-lactam inhibitor of the metallo-▀-lactamase NDM-1.EBI
Bioorg Med Chem 24: 2947-2953 (2016)
UiT The Arctic University of Norway
Discovery of 1-((2R,4aR,6R,7R,7aR)-2-Isopropoxy-2-oxidodihydro-4H,6H-spiro[furo[3,2-d][1,3,2]dioxaphosphinine-7,2'-oxetan]-6-yl)pyrimidine-2,4(1H,3H)-dione (JNJ-54257099), a 3'-5'-Cyclic Phosphate Ester Prodrug of 2'-Deoxy-2'-Spirooxetane Uridine Triphosphate Useful for HCV Inhibition.EBI
J Med Chem 59: 5790-8 (2016)
Janssen Infectious Diseases - Diagnostics BVBA
Drug discovery strategies to outer membrane targets in Gram-negative pathogens.EBI
Bioorg Med Chem 24: 6320-6331 (2016)
AstraZeneca
2-(Thienothiazolylimino)-1,3-thiazolidin-4-ones inhibit cell division cycle 25 A phosphatase.EBI
Bioorg Med Chem 24: 2920-2928 (2016)
Universit£ de Lorraine
Synergistic potentiation of (-)-lomaiviticin A cytotoxicity by the ATR inhibitor VE-821.EBI
Bioorg Med Chem Lett 26: 3122-6 (2016)
Yale University
Design, synthesis and evaluation of 6-aryl-indenoisoquinolone derivatives dual targeting ERa and VEGFR-2 as anti-breast cancer agents.EBI
Eur J Med Chem 118: 328-39 (2016)
China Pharmaceutical University
Sequential one-pot synthesis of bis(indolyl)glyoxylamides: Evaluation of antibacterial and anticancer activities.EBI
Bioorg Med Chem Lett 26: 3167-71 (2016)
Birla Institute of Technology
Further optimization of the M1 PAM VU0453595: Discovery of novel heterobicyclic core motifs with improved CNS penetration.EBI
Bioorg Med Chem Lett 26: 3822-5 (2016)
Vanderbilt University Medical Center
Identification of quinones as novel PIM1 kinase inhibitors.EBI
Bioorg Med Chem Lett 26: 3187-91 (2016)
Xavier University of Louisiana
Synthesis, structure-activity relationships, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.EBI
Bioorg Med Chem Lett 26: 3141-7 (2016)
Shanghai Institute of Materia Medica
Identification of novel aminopiperidine derivatives for antibacterial activity against Gram-positive bacteria.EBI
Bioorg Med Chem Lett 26: 3148-52 (2016)
Research Laboratories ILDONG Pharmaceutical Co. Ltd
An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition, and Protein X-ray Structures of Psammaplin C.EBI
J Med Chem 59: 5462-70 (2016)
Griffith University
Design, Synthesis, and Biological Evaluation of 1-Methyl-1,4-dihydroindeno[1,2-c]pyrazole Analogues as Potential Anticancer Agents Targeting Tubulin Colchicine Binding Site.EBI
J Med Chem 59: 5341-55 (2016)
Shandong University
Cyclin Dependent Kinase 9 Inhibitors for Cancer Therapy.EBI
J Med Chem 59: 8667-8684 (2016)
University of Nebraska Medical Center
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.EBI
J Med Chem 59: 5356-67 (2016)
Astex Pharmaceuticals
Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare I