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In silico evaluation of human small heat shock protein HSP27: homology modeling, mutation analyses and docking studies.EBI
Bioorg Med Chem 23: 3215-20 (2015)
Universit£
Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors.EBI
Bioorg Med Chem 23: 3208-14 (2015)
Universit£
Activity and anion inhibition studies of thea-carbonic anhydrase from Thiomicrospira crunogena XCL-2 Gammaproteobacterium.EBI
Bioorg Med Chem Lett 25: 4937-40 (2015)
University Of Florida
Discovery of LRRK2 inhibitors using sequential in silico joint pharmacophore space (JPS) and ensemble docking.EBI
Bioorg Med Chem Lett 25: 2713-9 (2015)
Acelot
Design, synthesis and pharmacology of 1,1-bistrifluoromethylcarbinol derivatives as liver X receptor▀-selective agonists.EBI
Bioorg Med Chem Lett 25: 2668-74 (2015)
Kowa
Synthesis of novel 3-aryl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene derivatives and their biological evaluation against protein tyrosine phosphatase 1B.BDB
Chem Biol Drug Des 86: 1161-7 (2015)
Jiangnan University
Parallel Synthesis of Hexahydrodiimidazodiazepines Heterocyclic Peptidomimetics and Their in Vitro and in Vivo Activities atÁ (MOR),d (DOR), and┐ (KOR) Opioid Receptors.EBI
J Med Chem 58: 4905-17 (2015)
Torrey Pines Institute For Molecular Studies
Discovery of Tricyclic Clerodane Diterpenes as Sarco/Endoplasmic Reticulum Ca(2+)-ATPase Inhibitors and Structure-Activity Relationships.EBI
J Nat Prod 78: 1262-70 (2015)
Albert-Ludwigs-University Of Freiburg
Functional Profiling of 2-Aminopyrimidine Histamine H4 Receptor Modulators.EBI
J Med Chem 58: 7119-27 (2015)
Janssen Research And Development
Novel Bioactive Hybrid Compound Dual Targeting Estrogen Receptor and Histone Deacetylase for the Treatment of Breast Cancer.EBI
J Med Chem 58: 4550-72 (2015)
Key Laboratory Of Combinatorial Biosynthesis And Drug Discovery (Wuhan University)
Synthesis and Biological Evaluation of Novel Olean-28,13▀-lactams as Potential Antiprostate Cancer Agents.EBI
J Med Chem 58: 4506-20 (2015)
China Pharmaceutical University
Discovery and Development of the Aryl O-Sulfamate Pharmacophore for Oncology and Women's Health.EBI
J Med Chem 58: 7634-58 (2015)
University Of Bath
Quinolyl analogues of norlobelane: novel potent inhibitors of [(3)H]dihydrotetrabenazine binding and [(3)H]dopamine uptake at the vesicular monoamine transporter-2.EBI
Bioorg Med Chem Lett 25: 2613-6 (2015)
University Of Kentucky
Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin.EBI
J Med Chem 58: 4839-44 (2015)
Institute For Infection Research
Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.EBI
J Med Chem 58: 5053-74 (2015)
Argenta Discovery
Inhibitors of melanogenesis in B16 melanoma 4A5 cells from flower buds of Lawsonia inermis (Henna).EBI
Bioorg Med Chem Lett 25: 2702-6 (2015)
Kyoto Pharmaceutical University
Discovery of a novel Kv7 channel opener as a treatment for epilepsy.EBI
Bioorg Med Chem Lett 25: 4941-4 (2015)
Pfizer
9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.EBI
Bioorg Med Chem Lett 25: 2809-12 (2015)
Bristol-Myers Squibb
Discovery of Selective Small-Molecule Inhibitors for the▀-Catenin/T-Cell Factor Protein-Protein Interaction through the Optimization of the Acyl Hydrazone Moiety.EBI
J Med Chem 58: 4678-92 (2015)
University Of Utah
Potent and Nontoxic Chemosensitizer of P-Glycoprotein-Mediated Multidrug Resistance in Cancer: Synthesis and Evaluation of Methylated Epigallocatechin, Gallocatechin, and Dihydromyricetin Derivatives.EBI
J Med Chem 58: 4529-49 (2015)
The Hong Kong Polytechnic University
Discovery and biological evaluation of tetrahydrothieno[2,3-c]pyridine derivatives as selective metabotropic glutamate receptor 1 antagonists for the potential treatment of neuropathic pain.EBI
Eur J Med Chem 97: 245-58 (2015)
Korea Institute Of Science And Technology
Pyrimethamine Derivatives: Insight into Binding Mechanism and Improved Enhancement of Mutant▀-N-acetylhexosaminidase Activity.EBI
J Med Chem 58: 4483-93 (2015)
Sickkids
De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one┐-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo.EBI
J Med Chem 58: 4624-37 (2015)
Universit£
Exploring S1 plasticity and probing S1' subsite of mammalian aminopeptidase N/CD13 with highly potent and selective aminobenzosuberone inhibitors.EBI
Bioorg Med Chem 23: 3192-207 (2015)
Universit£
Design, synthesis, and biological evaluation of a series of alkoxy-3-indolylacetic acids as peroxisome proliferator-activated receptor┐/d agonists.EBI
Bioorg Med Chem 23: 3322-36 (2015)
Sookmyung Women'S University
Discovery of biphenyl-aryl ureas as novel VEGFR-2 inhibitors. Part 4: exploration of diverse hinge-binding fragments.EBI
Bioorg Med Chem 23: 3228-36 (2015)
Xi'An Jiaotong University
Optimization of 2,4-diamino-5-fluoropyrimidine derivatives as protein kinase C theta inhibitors with mitigated time-dependent drug-drug interactions and P-gp liability.EBI
Bioorg Med Chem 23: 3269-77 (2015)
Astellas Pharma
2-Aminoalkyl nicotinamide derivatives as pure inverse agonists of the ghrelin receptor.EBI
Bioorg Med Chem Lett 25: 2707-12 (2015)
Asubio Pharma
Identification of MK-8133: An orexin-2 selective receptor antagonist with favorable development properties.EBI
Bioorg Med Chem Lett 25: 2488-92 (2015)
Merck Research Laboratories
Allobetulin derived seco-oleananedicarboxylates act as inhibitors of acetylcholinesterase.EBI
Bioorg Med Chem Lett 25: 2654-6 (2015)
Martin-Luther-Universit£T Halle-Wittenberg
Design of selective PI3Ka inhibitors starting from a promiscuous pan kinase scaffold.EBI
Bioorg Med Chem Lett 25: 2679-85 (2015)
Astrazeneca
Compounds from the insect Blaps japanensis with COX-1 and COX-2 inhibitory activities.EBI
Bioorg Med Chem Lett 25: 2469-72 (2015)
Chinese Academy Of Sciences
Development of a novel class of potent and selective FIXa inhibitors.EBI
Bioorg Med Chem Lett 25: 4945-9 (2015)
Merck Research Laboratories
Identification of indole inhibitors of human hematopoietic prostaglandin D2 synthase (hH-PGDS).EBI
Bioorg Med Chem Lett 25: 2496-500 (2015)
Astrazeneca
Hydroxy tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of RHS moiety (Part-3).EBI
Bioorg Med Chem Lett 25: 2473-8 (2015)
Merck Research Laboratories
Separation and peroxisome proliferator-activated receptor-┐ agonist activity evaluation of synthetic racemic bavachinin enantiomers.EBI
Bioorg Med Chem Lett 25: 2579-83 (2015)
Shanghai University Of Traditional Chinese Medicine
Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp.EBI
J Nat Prod 78: 1221-30 (2015)
Jinan University
Synthesis and Biological Evaluation of Cyclopentaquinoline Derivatives as Nonsteroidal Glucocorticoid Receptor Antagonists.EBI
J Med Chem 58: 4918-26 (2015)
TBA
Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of ERK1/2.EBI
J Med Chem 58: 4790-801 (2015)
TBA
Synthetic 1,2,3-triazole-linked glycoconjugates bind with high affinity to human galectin-3.EBI
Bioorg Med Chem 23: 3414-25 (2015)
Fcfrp - Usp
Structure-based design and synthesis of covalent-reversible inhibitors to overcome drug resistance in EGFR.EBI
Bioorg Med Chem 23: 2767-80 (2015)
Technische Universit£T Dortmund
Design, synthesis and biological evaluation of bivalent benzoxazolone and benzothiazolone ligands as potential anti-inflammatory/analgesic agents.EBI
Bioorg Med Chem 23: 3248-59 (2015)
Beni-Suef University
Dual-Mode HDAC Prodrug for Covalent Modification and Subsequent Inhibitor Release.EBI
J Med Chem 58: 4812-21 (2015)
University Of California
Novel Potent Orthosteric Antagonist of ASIC1a Prevents NMDAR-Dependent LTP Induction.EBI
J Med Chem 58: 4449-61 (2015)
Bogomoletz Institute Of Physiology Of Nas Ukraine
Discovery of a Chemical Tool Inhibitor Targeting the Bromodomains of TRIM24 and BRPF.EBI
J Med Chem 59: 1642-7 (2016)
University Of Oxford
Progress in discovery of small-molecule modulators of protein-protein interactions via fragment screening.EBI
Bioorg Med Chem Lett 25: 2461-8 (2015)
Pfizer
Discovery of bicyclic pyrazoles as class III histone deacetylase SIRT1 and SIRT2 inhibitors.EBI
Bioorg Med Chem Lett 25: 2514-8 (2015)
Methylgene
Challenges in the Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.EBI
J Med Chem 58: 9421-37 (2015)
Sib Swiss Institute Of Bioinformatics
Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.EBI
J Med Chem 58: 4693-702 (2015)
The University Of Wollongong And The Illawarra Health And Medical Research Institute
Structure-activity relationships of lysophosphatidylserine analogs as agonists of G-protein-coupled receptors GPR34, P2Y10, and GPR174.EBI
J Med Chem 58: 4204-19 (2015)
The University Of Tokyo
Design, synthesis and anticholinesterase activity of novel benzylidenechroman-4-ones bearing cyclic amine side chain.EBI
Eur J Med Chem 97: 181-9 (2015)
Tehran University Of Medicinal Sciences
A solid-phase combinatorial approach for indoloquinolizidine-peptides with high affinity at D(1) and D(2) dopamine receptors.EBI
Eur J Med Chem 97: 173-80 (2015)
University Of Barcelona
Design and synthesis of newer potential 4-(N-acetylamino)phenol derived piperazine derivatives as potential cognition enhancers.BDB
Bioorg Chem 60: 64-73 (2015)
Panjab University
New Monocyclic, Bicyclic, and Tricyclic Ethynylcyanodienones as Activators of the Keap1/Nrf2/ARE Pathway and Inhibitors of Inducible Nitric Oxide Synthase.EBI
J Med Chem 58: 4738-48 (2015)
Stony Brook University
Discovery of 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea (LY3009120) as a pan-RAF inhibitor with minimal paradoxical activation and activity against BRAF or RAS mutant tumor cells.EBI
J Med Chem 58: 4165-79 (2015)
Eli Lilly
Novel myricetin derivatives: Design, synthesis and anticancer activity.EBI
Eur J Med Chem 97: 155-63 (2015)
Guizhou University
Structure-activity relationships and molecular studies of novel arylpiperazinylalkyl purine-2,4-diones and purine-2,4,8-triones with antidepressant and anxiolytic-like activity.EBI
Eur J Med Chem 97: 142-54 (2015)
Jagiellonian University Medical College
N-Substituted Quinolinonyl Diketo Acid Derivatives as HIV Integrase Strand Transfer Inhibitors and Their Activity against RNase H Function of Reverse Transcriptase.EBI
J Med Chem 58: 4610-23 (2015)
"Sapienza" Universit£
Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.EBI
J Med Chem 58: 4727-37 (2015)
Eli Lilly
Synthesis and studies on the mGluR agonist activity of FAP4 stereoisomers.EBI
Bioorg Med Chem Lett 25: 2523-6 (2015)
Univ. Rouen
Discovery of bisamide-heterocycles as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake.EBI
Bioorg Med Chem Lett 25: 2594-8 (2015)
Marquette University
Indole based peptidomimetics as anti-inflammatory and anti-hyperalgesic agents: Dual inhibition of 5-LOX and COX-2 enzymes.EBI
Eur J Med Chem 97: 104-23 (2015)
Guru Nanak Dev University
Antioxidant and acetylcholinesterase inhibition properties of novel bromophenol derivatives.BDB
Bioorg Chem 60: 49-57 (2015)
Ataturk University
Synthesis and evaluation of constrained phosphoramidate inhibitors of prostate-specific membrane antigen.EBI
Bioorg Med Chem Lett 25: 2536-9 (2015)
Washington State University
Isatin based Schiff bases as inhibitors of a-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies.BDB
Bioorg Chem 60: 42-8 (2015)
Hazara University
Discovery, bioactivity and docking simulation of Vorinostat analogues containing 1,2,4-oxadiazole moiety as potent histone deacetylase inhibitors and antitumor agents.EBI
Bioorg Med Chem 23: 3457-71 (2015)
Southeast University
Discovery of (1R,2S)-2-{[(2,4-Dimethylpyrimidin-5-yl)oxy]methyl}-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide (E2006): A Potent and Efficacious Oral Orexin Receptor Antagonist.EBI
J Med Chem 58: 4648-64 (2015)
Eisai
Design and synthesis of close analogs of LCRF-0004, a potent and selective RON receptor tyrosine kinase inhibitor.EBI
Bioorg Med Chem Lett 25: 2527-31 (2015)
Chemrf Laboratories
Syntheses, cholinesterases inhibition, and molecular docking studies of pyrido[2,3-b]pyrazine derivatives.BDB
Chem Biol Drug Des 86: 1115-20 (2015)
University Of Karachi
Search for factors affecting antibacterial activity and toxicity of 1,2,4-triazole-ciprofloxacin hybrids.EBI
Eur J Med Chem 97: 94-103 (2015)
Medical University
Discovery of a high affinity and selective pyridine analog as a potential positron emission tomography imaging agent for cannabinoid type 2 receptor.EBI
J Med Chem 58: 4266-77 (2015)
Institute Of Pharmaceutical Sciences
Switch in Site of Inhibition: A Strategy for Structure-Based Discovery of Human Topoisomerase IIa Catalytic Inhibitors.EBI
ACS Med Chem Lett 6: 481-5 (2015)
Department Of Pharmaceutical Technology (Biotechnology), Department Of Pharmacoinformatics, And Department Of Medicinal Chemistry, National Institute Of Pharmaceutical Education And Research (Niper
Tying up Nicotine: New Selective Competitive Antagonist of the Neuronal Nicotinic Acetylcholine Receptors.EBI
ACS Med Chem Lett 6: 472-5 (2015)
University Of Copenhagen
Discovery of benzimidazole oxazolidinediones as novel and selective nonsteroidal mineralocorticoid receptor antagonists.EBI
ACS Med Chem Lett 6: 461-5 (2015)
Merck Research Laboratories
Rho kinase inhibitors: potentially versatile therapy for the treatment of cardiovascular diseases and more.EBI
ACS Med Chem Lett 6: 371-2 (2015)
Therachem Research Medilab (India)
Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors.EBI
ACS Med Chem Lett 6: 359-62 (2015)
Roche Innovation Center Shanghai
4,6-Diarylaminothiazines as BACE1 Inhibitors and Their Use for the Reduction of Beta-Amyloid Production.EBI
ACS Med Chem Lett 6: 237-8 (2015)
Temple University School Of Pharmacy
Biphenyl-ethyl-pyrrolidine derivatives as histamine h3 receptor modulators for the treatment of cognitive disorders.EBI
ACS Med Chem Lett 6: 235-6 (2015)
Temple University School Of Pharmacy
Design, synthesis, and biological evaluation of scutellarein carbamate derivatives as potential multifunctional agents for the treatment of Alzheimer's disease.BDB
Chem Biol Drug Des 86: 1168-77 (2015)
Sichuan University
Is RK-682 a promiscuous enzyme inhibitor? Synthesis and inávitro evaluation of protein tyrosine phosphatase inhibition of racemic RK-682 and analogues.EBI
Eur J Med Chem 97: 42-54 (2015)
University Of Campinas
Design, synthesis and antibacterial activity of cinnamaldehyde derivatives as inhibitors of the bacterial cell division protein FtsZ.EBI
Eur J Med Chem 97: 32-41 (2015)
Shandong University
Amorfrutins Are Natural PPAR┐ Agonists with Potent Anti-inflammatory Properties.EBI
J Nat Prod 78: 1160-4 (2015)
Max Planck Institute For Molecular Genetics
The chemistry and pharmacology of privileged pyrroloquinazolines.EBI
Medchemcomm 6: 510-520 (2015)
Oregon Health & Science University
a-Substituted 2-(3-fluoro-4-methylsulfonamidophenyl)acetamides as potent TRPV1 antagonists.EBI
Bioorg Med Chem Lett 25: 2326-30 (2015)
Seoul National University
Cyclopropyl-containing positive allosteric modulators of metabotropic glutamate receptor subtype 5.EBI
Bioorg Med Chem Lett 25: 2275-9 (2015)
University Of Maryland
Rapid development of two factor IXa inhibitors from hit to lead.EBI
Bioorg Med Chem Lett 25: 2321-5 (2015)
Merck Research Laboratories
Non-electrophilic modulators of the canonical Keap1/Nrf2 pathway.EBI
Bioorg Med Chem Lett 25: 2261-8 (2015)
University Of Illinois At Chicago
Synthesis, biological activities and pharmacokinetic properties of new fluorinated derivatives of selective PDE4D inhibitors.EBI
Bioorg Med Chem 23: 3426-35 (2015)
University Of Genoa
Novel spirohydantoin derivative as a potent multireceptor-active antipsychotic and antidepressant agent.EBI
Bioorg Med Chem 23: 3436-47 (2015)
Jagiellonian University Medical College
Pancreatic lipase inhibitory constituents from Morus alba leaves and optimization for extraction conditions.EBI
Bioorg Med Chem Lett 25: 2269-74 (2015)
Chungbuk National University
N-Oxide derivatives of 3-(3-pyridyl)-2-phosphonopropanoic acids as potential inhibitors of Rab geranylgeranylation.EBI
Bioorg Med Chem Lett 25: 2331-4 (2015)
University Of Iowa
Discovery of novel N-aryl piperazine CXCR4 antagonists.EBI
Bioorg Med Chem Lett 25: 4950-5 (2015)
Emory Institute For Drug Development
Structure-activity relationships of the prototypical TRPM8 agonist icilin.EBI
Bioorg Med Chem Lett 25: 2285-90 (2015)
National Research Council
New quinolone- and 1,8-naphthyridine-3-carboxamides as selective CB2 receptor agonists with anticancer and immuno-modulatory activity.EBI
Eur J Med Chem 97: 10-8 (2015)
University Of Pisa
Discovery of piperidin-4-yl-aminopyrimidine derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors.EBI
Eur J Med Chem 97: 1-9 (2015)
Fudan University
Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease.EBI
Bioorg Med Chem 23: 3722-9 (2015)
Sun Yat-Sen University
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.EBI
Bioorg Med Chem 23: 3490-8 (2015)
Goethe-University Frankfurt
Synthesis and molecular docking of 1,2,3-triazole-based sulfonamides as aromatase inhibitors.EBI
Bioorg Med Chem 23: 3472-80 (2015)
Srinakharinwirot University
Boronic acid-containing CXCR1/2 antagonists: Optimization of metabolic stability, in vivo evaluation, and a proposed receptor binding model.EBI
Bioorg Med Chem Lett 25: 2280-4 (2015)
Syntrix Biosystems
Biochemical and structural analysis of an Eis family aminoglycoside acetyltransferase from bacillus anthracis.BDB
Biochemistry 54: 3197-206 (2015)
University Of Kentucky
Flavonoids from Matteuccia struthiopteris and Their Anti-influenza Virus (H1N1) Activity.EBI
J Nat Prod 78: 987-95 (2015)
Shenyang Pharmaceutical University
Voltage-Gated Sodium Channels: Structure, Function, Pharmacology, and Clinical Indications.EBI
J Med Chem 58: 7093-118 (2015)
Merck Research Laboratories
Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors.EBI
J Med Chem 58: 4590-609 (2015)
Universit£
Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.EBI
J Med Chem 58: 4357-63 (2015)
Academy Of Sciences Of The Czech Republic
Top-down Targeted Metabolomics Reveals a Sulfur-Containing Metabolite with Inhibitory Activity against Angiotensin-Converting Enzyme in Asparagus officinalis.EBI
J Nat Prod 78: 1179-83 (2015)
Riken Center For Sustainable Resource Science
Synthesis and evaluation of quinazoline amino acid derivatives as mono amine oxidase (MAO) inhibitors.EBI
Bioorg Med Chem 23: 3574-85 (2015)
Alexandria University
Development and validation of a novel assay to identify radiosensitizers that target nucleophosmin 1.EBI
Bioorg Med Chem 23: 3681-6 (2015)
University Of Arkansas For Medical Sciences
Design, synthesis and evaluation of novel 2-butyl-4-chloroimidazole derived peptidomimetics as Angiotensin Converting Enzyme (ACE) inhibitors.EBI
Bioorg Med Chem 23: 3526-33 (2015)
Csir-Indian Institute Of Chemical Technology
Discovery of potent carbonic anhydrase and acetylcholine esterase inhibitors: novel sulfamoylcarbamates and sulfamides derived from acetophenones.EBI
Bioorg Med Chem 23: 3592-602 (2015)
Agriibrahim£E£En University
New matrix metalloproteinase inhibitors based on┐-fluorinateda-aminocarboxylic anda-aminohydroxamic acids.EBI
Bioorg Med Chem 23: 3809-18 (2015)
Westf£Lische Wilhelms-Universit£T M£Nster
New pyrazolo[4,3-e][1,2,4]triazine sulfonamides as carbonic anhydrase inhibitors.EBI
Bioorg Med Chem 23: 3674-80 (2015)
Siedlce University Of Natural Sciences And Humanities
Novel type of plasmin inhibitors: providing insight into P4 moiety and alternative scaffold to pyrrolopyrimidine.EBI
Bioorg Med Chem 23: 3696-704 (2015)
Hiroshima International University
Perspective: Tyrosine phosphatases as novel targets for antiplatelet therapy.EBI
Bioorg Med Chem 23: 2786-97 (2015)
Sanford-Burnham Medical Research Institute
Synthesis, thymidine phosphorylase inhibition and molecular modeling studies of 1,3,4-oxadiazole-2-thione derivatives.BDB
Bioorg Chem 60: 37-41 (2015)
Comsats Institute Of Information Technology
Synthesis and biological evaluation of kojic acid derivatives containing 1,2,4-triazole as potent tyrosinase inhibitors.BDB
Chem Biol Drug Des 86: 1087-92 (2015)
Hunan University Of Science And Technology
First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.EBI
J Med Chem 58: 4822-38 (2015)
The University Of Queensland
Exploring the Role of Residue 228 in Substrate and Inhibitor Recognition by VIM Metallo-▀-lactamases.BDB
Biochemistry 54: 3183-96 (2015)
Louis Stokes Cleveland Veterans Affairs Medical Center
New Frontiers in Selective Human MAO-B Inhibitors.EBI
J Med Chem 58: 6717-32 (2015)
Sapienza University Of Rome
Chemical Biology of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors.EBI
J Med Chem 58: 6733-46 (2015)
Genentech
Discovery of novel 5-fluoro-N(2),N(4)-diphenylpyrimidine-2,4-diamines as potent inhibitors against CDK2 and CDK9.EBI
Medchemcomm 6: 444-454 (2015)
Chinese Academy Of Medical Sciences And Peking Union Medical College
Synthesis and antibacterial activities of cadiolides A, B and C and analogues.EBI
Bioorg Med Chem 23: 3618-28 (2015)
Normandie Univ
Stereoselective synthesis of 11-phenylundeca-5Z,9Z-dienoic acid and investigation of its human topoisomerase I and IIa inhibitory activity.EBI
Bioorg Med Chem Lett 25: 2405-8 (2015)
Russian Academy Of Science
Synthesis of Schiff base derivatives of 4-(2-aminoethyl)-benzenesulfonamide with inhibitory activity against carbonic anhydrase isoforms I, II, IX and XII.EBI
Bioorg Med Chem Lett 25: 2377-81 (2015)
Harran University
Synthesis, carbonic anhydrase inhibition and cytotoxic activity of novel chromone-based sulfonamide derivatives.EBI
Eur J Med Chem 96: 425-35 (2015)
Cairo University
Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors.EBI
Eur J Med Chem 96: 405-24 (2015)
The State University Of New York
Synthesis and antitumor activities evaluation of m-(4-morpholinoquinazolin-2-yl)benzamides in vitro and in vivo.EBI
Eur J Med Chem 96: 382-95 (2015)
Xi'An Jiaotong University
Design, synthesis and structure-activity relationship of oxazolidinone derivatives containing novel S4 ligand as FXa inhibitors.EBI
Eur J Med Chem 96: 369-80 (2015)
Shenyang Pharmaceutical University
Current kinase inhibitors cover a tiny fraction of fragment space.EBI
Bioorg Med Chem Lett 25: 2372-6 (2015)
University Of Zurich
Structure activity relationship of substituted 1,5-naphthyridine analogs of oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents (Part-4).EBI
Bioorg Med Chem Lett 25: 2409-15 (2015)
Merck Research Laboratories
1-Benzyl-4-phenyl-1H-1,2,3-triazoles improve the transcriptional functions of estrogen-related receptor┐ and promote the browning of white adipose.EBI
Bioorg Med Chem 23: 3751-60 (2015)
Guangzhou Institutes Of Biomedicine And Health
Discovery of potent indenoisoquinoline topoisomerase I poisons lacking the 3-nitro toxicophore.EBI
J Med Chem 58: 3997-4015 (2015)
Purdue University
Discovery of novel indirubin-3'-monoxime derivatives as potent inhibitors against CDK2 and CDK9.EBI
Bioorg Med Chem Lett 25: 2447-51 (2015)
Chinese Academy Of Medical Sciences And Peking Union Medical College
Design, synthesis and biological evaluation of deuterated Tivozanib for improving pharmacokinetic properties.EBI
Bioorg Med Chem Lett 25: 2425-8 (2015)
Sichuan University
Anti-HIV diarylpyrimidine-quinolone hybrids and their mode of action.EBI
Bioorg Med Chem 23: 3860-8 (2015)
Fudan University
Selaginellin and biflavonoids as protein tyrosine phosphatase 1B inhibitors from Selaginella tamariscina and their glucose uptake stimulatory effects.EBI
Bioorg Med Chem 23: 3730-7 (2015)
Catholic University Of Daegu
Light-switched inhibitors of protein tyrosine phosphatase PTP1B based on phosphonocarbonyl phenylalanine as photoactive phosphotyrosine mimetic.EBI
Bioorg Med Chem 23: 2839-47 (2015)
Freie Universit£T Berlin
A potent and selective inhibitor for the UBLCP1 proteasome phosphatase.EBI
Bioorg Med Chem 23: 2798-809 (2015)
Indiana University
A Developability-Focused Optimization Approach Allows Identification of in Vivo Fast-Acting Antimalarials: N-[3-[(Benzimidazol-2-yl)amino]propyl]amides.EBI
J Med Chem 58: 4573-80 (2015)
University Of Helsinki
Design, synthesis, and antitumor evaluation of novel histone deacetylase inhibitors equipped with a phenylsulfonylfuroxan module as a nitric oxide donor.EBI
J Med Chem 58: 4325-38 (2015)
Shandong University
Novel histone deacetylase inhibitors induce growth arrest, apoptosis, and differentiation in sarcoma cancer stem cells.EBI
J Med Chem 58: 4073-9 (2015)
Istituto Ortopedico Rizzoli (Ior)
Rational design of dual peptides targeting ghrelin and Y2 receptors to regulate food intake and body weight.EBI
J Med Chem 58: 4180-93 (2015)
Universit£T Leipzig
9-Hydroxycanthin-6-one, a▀-Carboline Alkaloid from Eurycoma longifolia, Is the First Wnt Signal Inhibitor through Activation of Glycogen Synthase Kinase 3▀ without Depending on Casein Kinase 1a.EBI
J Nat Prod 78: 1139-46 (2015)
Chiba University
Discovery, synthesis, and molecular pharmacology of selective positive allosteric modulators of thed-opioid receptor.EBI
J Med Chem 58: 4220-9 (2015)
Bristol-Myers Squibb
Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94.EBI
J Med Chem 58: 3922-43 (2015)
Sloan-Kettering Institute For Cancer Research
Benzo-fused lactams from a diversity-oriented synthesis (DOS) library as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake.EBI
Bioorg Med Chem Lett 25: 2100-5 (2015)
Marquette University
Discovery of novel tricyclic pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine derivatives as VEGFR-2 inhibitors.BDB
Bioorg Chem 60: 1-12 (2015)
Suez Canal University
Design and structure activity relationship of tumor-homing histone deacetylase inhibitors conjugated to folic and pteroic acids.EBI
Eur J Med Chem 96: 340-59 (2015)
Georgia Institute Of Technology
New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode.EBI
Eur J Med Chem 96: 318-29 (2015)
Universitat De Barcelona
Synthesis and identification of unprecedented selective inhibitors of CK1e.EBI
Eur J Med Chem 96: 308-17 (2015)
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Iubo-Ag)
Design, synthesis and biological evaluation of pyridazino[3,4,5-de]quinazolin-3(2H)-one as a new class of PARP-1 inhibitors.EBI
Bioorg Med Chem Lett 25: 2340-4 (2015)
Peking University
Discovery of a▀-Hairpin Octapeptide, c[Pro-Arg-Phe-Phe-Dap-Ala-Phe-DPro], Mimetic of Agouti-Related Protein(87-132) [AGRP(87-132)] with Equipotent Mouse Melanocortin-4 Receptor (mMC4R) Antagonist Pharmacology.EBI
J Med Chem 58: 4638-47 (2015)
University Of Minnesota
C7▀-methyl analogues of the orvinols: the discovery of kappa opioid antagonists with nociceptin/orphanin FQ peptide (NOP) receptor partial agonism and low, or zero, efficacy at mu opioid receptors.EBI
J Med Chem 58: 4242-9 (2015)
University Of Bath
Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors.EBI
J Med Chem 58: 4309-24 (2015)
Agoralaan Abis
Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors.EBI
J Med Chem 58: 3892-909 (2015)
Takeda Pharmaceutical
Highly Selective Phosphatidylinositol 4-Kinase III▀ Inhibitors and Structural Insight into Their Mode of Action.EBI
J Med Chem 58: 3767-93 (2015)
Gilead Sciences
Isolation and Characterization of Dammarane-Type Saponins from Gynostemma pentaphyllum and Their Inhibitory Effects on IL-6-Induced STAT3 Activation.EBI
J Nat Prod 78: 971-6 (2015)
Chungbuk National University
Inhibition of Human Prolyl Oligopeptidase Activity by the Cyclotide Psysol 2 Isolated from Psychotria solitudinum.EBI
J Nat Prod 78: 1073-82 (2015)
Medical University Of Vienna
Re(I) and Tc(I) complexes for targeting nitric oxide synthase: influence of the chelator in the affinity for the enzyme.BDB
Chem Biol Drug Des 86: 1072-86 (2015)
Universidade De Lisboa
Azolylthioacetamide: A Highly Promising Scaffold for the Development of Metallo-▀-lactamase Inhibitors.EBI
ACS Med Chem Lett 6: 455-60 (2015)
North-West University
Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development.EBI
ACS Med Chem Lett 6: 450-4 (2015)
Janssen Pharmaceutical Companies Of Johnson & Johnson
Discovery of a Potent and Orally Bioavailable Dual Antagonist of CC Chemokine Receptors 2 and 5.EBI
ACS Med Chem Lett 6: 439-44 (2015)
Bristol-Myers Squibb
Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors.EBI
ACS Med Chem Lett 6: 434-8 (2015)
Pkucare Pharmaceutical R & D Center
Discovery of a Selective TRPM8 Antagonist with Clinical Efficacy in Cold-Related Pain.EBI
ACS Med Chem Lett 6: 419-24 (2015)
Pfizer
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.EBI
ACS Med Chem Lett 6: 413-8 (2015)
Translational Research Institute
Discovery of a Dual PRMT5-PRMT7 Inhibitor.EBI
ACS Med Chem Lett 6: 408-12 (2015)
University Of Toronto
Peptidic inhibitors for in vitro pentamer formation of human papillomavirus capsid protein l1.EBI
ACS Med Chem Lett 6: 381-5 (2015)
Jilin University
Design, synthesis and biological evaluation of di-substituted noscapine analogs as potent and microtubule-targeted anticancer agents.EBI
Bioorg Med Chem Lett 25: 2133-40 (2015)
Georgia State University
PTP1B inhibitors from stems of Angelica keiskei (Ashitaba).EBI
Bioorg Med Chem Lett 25: 2028-32 (2015)
Chinese Academy Of Sciences
Discovery of heterocyclic sulfonamides as sphingosine 1-phosphate receptor 1 (S1P1) antagonists.EBI
Bioorg Med Chem Lett 25: 2041-5 (2015)
Astrazeneca
Exploring the isoform selectivity of TGX-221 related pyrido[1,2-a]pyrimidinone-based Class IA PI 3-kinase inhibitors: synthesis, biological evaluation and molecular modelling.EBI
Bioorg Med Chem 23: 3796-808 (2015)
University Of Auckland
Thiazolidine-2,4-dione derivatives: programmed chemical weapons for key protein targets of various pathological conditions.EBI
Bioorg Med Chem 23: 2953-74 (2015)
Punjabi University
A FRET-based assay for screening SIRT6 modulators.EBI
Eur J Med Chem 96: 245-9 (2015)
Guiyang Medical University
Discovery of DS-5272 as a promising candidate: A potent and orally active p53-MDM2 interaction inhibitor.EBI
Bioorg Med Chem 23: 2360-7 (2015)
Daiichi Sankyo
Synthesis and evaluation of novel amide amino-▀-lactam derivatives as cholesterol absorption inhibitors.EBI
Bioorg Med Chem 23: 2353-9 (2015)
Ruder Boskovic Institute
Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one.EBI
Bioorg Med Chem 23: 2489-97 (2015)
Nas Of Ukraine
Structure activity relationship of selective GABA uptake inhibitors.EBI
Bioorg Med Chem 23: 2480-8 (2015)
University Of Copenhagen
Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders.EBI
Bioorg Med Chem 23: 2387-407 (2015)
Nerviano Medical Sciences
The▀-carbonic anhydrase from the malaria mosquito Anopheles gambiae is highly inhibited by sulfonamides.EBI
Bioorg Med Chem 23: 2303-9 (2015)
University Of Tampere And Tampere University Hospital
Non-peptide ligand binding to the formyl peptide receptor FPR2--A comparison to peptide ligand binding modes.EBI
Bioorg Med Chem 23: 4072-81 (2015)
University Of Warsaw
Discovery of potent and selective urea-based ROCK inhibitors: Exploring the inhibitor's potency and ROCK2/PKA selectivity by 3D-QSAR, molecular docking and molecular dynamics simulations.EBI
Bioorg Med Chem 23: 2505-17 (2015)
Shanghai Institute Of Technology
Structure-based discovery of small molecule hepsin and HGFA protease inhibitors: Evaluation of potency and selectivity derived from distinct binding pockets.EBI
Bioorg Med Chem 23: 2328-43 (2015)
Washington University
The design, synthesis and biological evaluation of conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase and microtubule inhibitors as potential antitumor agents.EBI
Bioorg Med Chem 23: 2408-23 (2015)
Duquesne University
The amide linker in nonpeptide neurotensin receptor ligands plays a key role in calcium signaling at the neurotensin receptor type 2.EBI
Bioorg Med Chem Lett 25: 2060-4 (2015)
Rti International
Synthetic derivatives of the SUMO consensus sequence provide a basis for improved substrate recognition.EBI
Bioorg Med Chem Lett 25: 2146-51 (2015)
National Cancer Institute-Frederick
Synthesis and biological evaluation of novel pyrazoline derivatives as potent anti-inflammatory agents.EBI
Bioorg Med Chem Lett 25: 2429-33 (2015)
Sichuan University
Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.EBI
Bioorg Med Chem Lett 25: 2169-73 (2015)
Bristol-Myers Squibb R & D
Identification of GDC-0810 (ARN-810), an Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) that Demonstrates Robust Activity in Tamoxifen-Resistant Breast Cancer Xenografts.EBI
J Med Chem 58: 4888-904 (2015)
Seragon Pharmaceuticals
6-Substituted sulfocoumarins are selective carbonic anhdydrase IX and XII inhibitors with significant cytotoxicity against colorectal cancer cells.EBI
J Med Chem 58: 3975-83 (2015)
Latvian Institute Of Organic Synthesis
Novel imidazole derivatives as heme oxygenase-1 (HO-1) and heme oxygenase-2 (HO-2) inhibitors and their cytotoxic activity in human-derived cancer cell lines.EBI
Eur J Med Chem 96: 162-72 (2015)
University Of Catania
Identification of 4-(4-nitro-2-phenethoxyphenyl)pyridine as a promising new lead for discovering inhibitors of both human and rat 11▀-Hydroxylase.EBI
Eur J Med Chem 96: 139-50 (2015)
Saarland University
Design, synthesis and structural exploration of novel fluorinated dabigatran derivatives as direct thrombin inhibitors.EBI
Eur J Med Chem 96: 122-38 (2015)
Shanghai Institute Of Technology
Exploring the 7-oxo-thiazolo[5,4-d]pyrimidine core for the design of new human adenosine A3 receptor antagonists. Synthesis, molecular modeling studies and pharmacological evaluation.EBI
Eur J Med Chem 96: 105-21 (2015)
Universita' Di Firenze
Exploring the chemical space of ureidothiophene-2-carboxylic acids as inhibitors of the quorum sensing enzyme PqsD from Pseudomonas aeruginosa.EBI
Eur J Med Chem 96: 14-21 (2015)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland (Hips)
Discovery and preliminary evaluation of 2-aminobenzamide and hydroxamate derivatives containing 1,2,4-oxadiazole moiety as potent histone deacetylase inhibitors.EBI
Eur J Med Chem 96: 1-13 (2015)
Southeast University
Design and synthesis of novel 1,2-dithiolan-4-yl benzoate derivatives as PTP1B inhibitors.EBI
Bioorg Med Chem Lett 25: 2211-6 (2015)
Chinese Academy Of Sciences
Application of cultured human mast cells (CHMC) for the design and structure-activity relationship of IgE-mediated mast cell activation inhibitors.EBI
Bioorg Med Chem Lett 25: 2117-21 (2015)
Amarit Bioscience
TR-FRET binding assay targeting unactivated form of Bruton's tyrosine kinase.EBI
Bioorg Med Chem Lett 25: 2033-6 (2015)
Carna Biosciences
Lazaroids U83836E and U74389G are potent, time-dependent inhibitors of caspase-1.BDB
Chem Biol Drug Des 86: 1049-54 (2015)
Depaul University
Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.EBI
J Nat Prod 78: 885-95 (2015)
Chinese Academy Of Sciences
Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4.EBI
Bioorg Med Chem Lett 25: 1836-41 (2015)
Merck Research Laboratories
Molecular modeling of the human P2Y14 receptor: A template for structure-based design of selective agonist ligands.EBI
Bioorg Med Chem 23: 4056-64 (2015)
National Institute Of Diabetes And Digestive And Kidney Diseases
Discovery of novel spiro 1,3,4-thiadiazolines as potent, orally bioavailable and brain penetrant KSP inhibitors.EBI
Bioorg Med Chem 23: 2424-34 (2015)
Merck Research Laboratories
Novel thiazolo[3,2-b]-1,2,4-triazoles derived from naproxen with analgesic/anti-inflammatory properties: Synthesis, biological evaluation and molecular modeling studies.EBI
Bioorg Med Chem 23: 2518-28 (2015)
Hacettepe University
Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with▀-amyloid anti-aggregation properties and beneficial effects on memory in vivo.EBI
Bioorg Med Chem 23: 2445-57 (2015)
Jagiellonian University
Design, synthesis and biological evaluation of new hybrid anticonvulsants derived from N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide and 2-(2,5-dioxopyrrolidin-1-yl)butanamide derivatives.EBI
Bioorg Med Chem 23: 2548-61 (2015)
Jagiellonian University Medical College
2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy.EBI
Bioorg Med Chem Lett 25: 1910-4 (2015)
Kaken Pharmaceutical
Fingerprint-based consensus virtual screening towards structurally new 5-HT(6)R ligands.EBI
Bioorg Med Chem Lett 25: 1827-30 (2015)
Jagiellonian University
Design, synthesis, biological evaluation and molecular modeling of dihydropyrazole sulfonamide derivatives as potential COX-1/COX-2 inhibitors.EBI
Bioorg Med Chem Lett 25: 1947-51 (2015)
The First Affiliated Hospital Of Nanjing Medical University
Diarylsulfonamides and their bioisosteres as dual inhibitors of alkaline phosphatase and carbonic anhydrase: Structure activity relationship and molecular modelling studies.EBI
Bioorg Med Chem 23: 2435-44 (2015)
Forman Christian College (A Chartered University)
Synthesis and biological evaluation of open-chain analogs of cyclic peptides as inhibitors of cellular Shp2 activity.EBI
Bioorg Med Chem 23: 2562-7 (2015)
Hebei University Of Science & Technology
Exploration of benzamidochromenone derivatives with conformational restrictor as interleukin-5 inhibitors.EBI
Bioorg Med Chem 23: 2498-504 (2015)
Chungnam National University
Direct Staudinger-Phosphonite Reaction Provides Methylphosphonamidates as Inhibitors of CE4 De-N-acetylases.BDB
Chembiochem 16: 1350-6 (2015)
University Of Toronto
LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.EBI
Angew Chem Int Ed Engl 54: 6217-21 (2015)
University Of Oxford
N-Acylsulfonamides strongly inhibit human carbonic anhydrase isoenzymes I and II.EBI
Bioorg Med Chem 23: 2598-605 (2015)
Atat£Rk University
Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening.EBI
Bioorg Med Chem 23: 2310-7 (2015)
Astellas Pharma
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part I.EBI
Bioorg Med Chem 23: 2568-78 (2015)
Takeda Pharmaceutical
Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors.EBI
Bioorg Med Chem Lett 25: 4956-60 (2015)
Virginia Tech
Elimination of a cholecystokinin receptor agonist 'trigger' in an effort to develop positive allosteric modulators without intrinsic agonist activity.EBI
Bioorg Med Chem Lett 25: 1849-55 (2015)
Mayo Clinic
The synthesis and evaluation of sesamol and benzodioxane derivatives as inhibitors of monoamine oxidase.EBI
Bioorg Med Chem Lett 25: 1896-900 (2015)
North-West University
BMS-871: a novel orally active pan-Notch inhibitor as an anticancer agent.EBI
Bioorg Med Chem Lett 25: 1905-9 (2015)
Bristol-Myers Squibb Research And Development
Activation of the┐-Aminobutyric Acid Type B (GABA(B)) Receptor by Agonists and Positive Allosteric Modulators.EBI
J Med Chem 58: 6336-47 (2015)
Purdue University
Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.EBI
J Med Chem 59: 1425-39 (2016)
Glaxosmithkline R&D
HM30181 Derivatives as Novel Potent and Selective Inhibitors of the Breast Cancer Resistance Protein (BCRP/ABCG2).EBI
J Med Chem 58: 3910-21 (2015)
University Of Bonn
Synthesis of 5,6-dihydro-4H-benzo[d]isoxazol-7-one and 5,6-dihydro-4H-isoxazolo[5,4-c]pyridin-7-one derivatives as potential Hsp90 inhibitors.BDB
Chem Biol Drug Des 86: 1030-5 (2015)
University Of Milano
Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2).EBI
Bioorg Med Chem Lett 25: 1831-5 (2015)
Merck Research Laboratories
Benzo[d]imidazole Transient Receptor Potential Vanilloid 1 Antagonists for the Treatment of Pain: Discovery of trans-2-(2-{2-[2-(4-Trifluoromethyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-propan-2-ol (Mavatrep).EBI
J Med Chem 58: 3859-74 (2015)
TBA
Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3.EBI
J Med Chem 58: 3611-25 (2015)
Astrazeneca
Towards small molecule inhibitors of mono-ADP-ribosyltransferases.EBI
Eur J Med Chem 95: 546-51 (2015)
Karolinska Institutet
Structure-activity relationship and properties optimization of a series of quinazoline-2,4-diones as inhibitors of the canonical Wnt pathway.EBI
Eur J Med Chem 95: 526-45 (2015)
Siena Biotech
Synthesis of a new series of dithiocarbamates with effective human carbonic anhydrase inhibitory activity and antiglaucoma action.EBI
Bioorg Med Chem 23: 2368-76 (2015)
Universit£
Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.EBI
Bioorg Med Chem Lett 25: 1856-63 (2015)
Bristol-Myers Squibb Research And Development
Inactivation of Mandelate Racemase by 3-Hydroxypyruvate Reveals a Potential Mechanistic Link between Enzyme Superfamilies.BDB
Biochemistry 54: 2747-57 (2015)
Dalhousie University
Discovery of tricyclic indoles that potently inhibit Mcl-1 using fragment-based methods and structure-based design.EBI
J Med Chem 58: 3794-805 (2015)
Vanderbilt University School Of Medicine
Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.EBI
J Med Chem 58: 3806-16 (2015)
Genentech
Design, synthesis and biological evaluation of tasiamide B derivatives as BACE1 inhibitors.EBI
Bioorg Med Chem 23: 1963-74 (2015)
Fudan University
Discovery of N-benzoxazol-5-yl-pyrazole-4-carboxamides as nanomolar SQR inhibitors.EBI
Eur J Med Chem 95: 424-34 (2015)
Central China Normal University
Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators.EBI
Bioorg Med Chem Lett 25: 1892-5 (2015)
Boehringer Ingelheim Pharmaceuticals
Identification of novel class of falcipain-2 inhibitors as potential antimalarial agents.EBI
Bioorg Med Chem 23: 2221-40 (2015)
University Of Toronto
Identification of anthranilamide derivatives as potential factor Xa inhibitors: drug design, synthesis and biological evaluation.EBI
Eur J Med Chem 95: 388-99 (2015)
China Pharmaceutical University
Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.EBI
J Med Chem 58: 4080-5 (2015)
University Of Queensland
Substituted pyrrolidin-2-ones: Centrally acting orexin receptor antagonists promoting sleep. Part 2.EBI
Bioorg Med Chem Lett 25: 1884-91 (2015)
Actelion Pharmaceuticals
Synthesis and potent inhibitory activities of carboxybenzyl-substituted 8-(3-(R)-aminopiperidin-1-yl)-7-(2-chloro/cyanobenzyl)-3-methyl-3,7-dihydro-purine-2,6-diones as dipeptidyl peptidase IV (DPP-IV) inhibitors.EBI
Bioorg Med Chem Lett 25: 1872-5 (2015)
Southern Medical University
Synthesis and biological evaluation of novel HIV-1 protease inhibitors using tertiary amine as P2-ligands.EBI
Bioorg Med Chem Lett 25: 1880-3 (2015)
Chinese Academy Of Medical Sciences And Peking Union Medical College
Xanthones from the roots of Maclura cochinchinensis var. gerontogea and their retinoic acid receptor-a agonistic activity.EBI
Bioorg Med Chem Lett 25: 1998-2001 (2015)
Aichi Gakuin University
Steroidal Alkaloids from Veratrum nigrum Enhance Glucose Uptake in Skeletal Muscle Cells.EBI
J Nat Prod 78: 803-10 (2015)
Chungnam National University
Novel arylazopyrazole inhibitors of cyclin-dependent kinases.EBI
Bioorg Med Chem 23: 1975-81 (2015)
Palack�
Design, Synthesis, and Structure-Activity Relationship Studies of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as a New Class of Src Inhibitors with Potent Activities in Models of Triple Negative Breast Cancer.EBI
J Med Chem 58: 3957-74 (2015)
Sichuan University
Allotides: Proline-Rich Cystine Knota-Amylase Inhibitors from Allamanda cathartica.EBI
J Nat Prod 78: 695-704 (2015)
Nanyang Technological University
Discovery, Synthesis, and Biological Evaluation of Thiazoloquin(az)olin(on)es as Potent CD38 Inhibitors.EBI
J Med Chem 58: 3548-71 (2015)
Glaxosmithkline
Design, synthesis and biological evaluation of novel pyrazoline-containing derivatives as potential tubulin assembling inhibitors.EBI
Eur J Med Chem 94: 447-57 (2015)
Nanjing University
Histone H3 peptide based LSD1-selective inhibitors.EBI
Bioorg Med Chem Lett 25: 1925-8 (2015)
Waseda University
Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.EBI
Bioorg Med Chem Lett 25: 1990-4 (2015)
Vertex Pharmaceuticals
3,4-Diaza-bicyclo[4.1.0]hept-4-en-2-one phenoxypropylamine analogs of irdabisant (CEP-26401) as potent histamine-3 receptor inverse agonists with robust wake-promoting activity.EBI
Eur J Med Chem 95: 349-56 (2015)
Teva Global R & D.
Enhancing the cellular anti-proliferation activity of pyridazinones as c-met inhibitors using docking analysis.EBI
Eur J Med Chem 95: 302-12 (2015)
Chinese Academy Of Sciences
Structure-activity relationship studies of SEN12333 analogues: determination of the optimal requirements for binding affinities ata7 nAChRs through incorporation of known structural motifs.EBI
Eur J Med Chem 95: 277-301 (2015)
The University Of Sydney
Identifying Medication Targets for Psychostimulant Addiction: Unraveling the Dopamine D3 Receptor Hypothesis.EBI
J Med Chem 58: 5361-80 (2015)
National Institute On Drug Abuse-Intramural Research Program
Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.EBI
J Med Chem 58: 3393-410 (2015)
Ku Leuven
DUPA conjugation of a cytotoxic indenoisoquinoline topoisomerase I inhibitor for selective prostate cancer cell targeting.EBI
J Med Chem 58: 3094-103 (2015)
Purdue University
Synthesis and biological evaluation of novel tyrosyl-DNA phosphodiesterase 1 inhibitors with a benzopentathiepine moiety.EBI
Bioorg Med Chem 23: 2044-52 (2015)
Siberian Branch Of The Russian Academy Of Sciences
Canthinone alkaloids are novel protein tyrosine phosphatase 1B inhibitors.EBI
Bioorg Med Chem Lett 25: 1979-81 (2015)
Toho University
Five new phorbol esters with cytotoxic and selective anti-inflammatory activities from Croton tiglium.EBI
Bioorg Med Chem Lett 25: 1986-9 (2015)
Hunan University Of Chinese Medicine
Design, synthesis and preliminary bioactivity studies of 2-thioxo-4-thiazolidinone derivatives as Bcl-2 inhibitors.EBI
Bioorg Med Chem 23: 1994-2003 (2015)
Shandong University
The CERT antagonist HPA-12: first practical synthesis and individual binding evaluation of the four stereoisomers.EBI
Bioorg Med Chem 23: 2004-9 (2015)
Universit£
A FRET-based assay for screening SIRT5 specific modulators.EBI
Bioorg Med Chem Lett 25: 1671-4 (2015)
Guiyang Medical University
Synthesis of diethyl 4-substituted-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates as a new series of inhibitors against yeasta-glucosidase.EBI
Eur J Med Chem 95: 199-209 (2015)
University Of Karachi
Design, synthesis and biological evaluation of N-phenylthieno[2,3-d]pyrimidin-4-amines as inhibitors of FGFR1.EBI
Bioorg Med Chem 23: 2287-93 (2015)
Institute Of Molecular Biology And Genetics Nas Of Ukraine
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.EBI
ACS Med Chem Lett 6: 349-54 (2015)
University Of Illinois At Urbana-Champaign
Exploiting the Polypharmacology of ▀-Carbolines to Disrupt O. volvulus Molting.EBI
ACS Med Chem Lett 6: 339-43 (2015)
The Scripps Research Institute
Positron emission tomography to elucidate pharmacokinetic differences of regioisomeric retinoid x receptor agonists.EBI
ACS Med Chem Lett 6: 334-8 (2015)
Okayama University Graduate School Of Medicine
Design, Synthesis, and Evaluation of Tetrasubstituted Pyridines as Potent 5-HT2C Receptor Agonists.EBI
ACS Med Chem Lett 6: 329-33 (2015)
University Of Cambridge
Synthesis of New DPP-4 Inhibitors Based on a Novel Tricyclic Scaffold.EBI
ACS Med Chem Lett 6: 324-8 (2015)
University Park Nottingham
Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).EBI
ACS Med Chem Lett 6: 318-23 (2015)
Merck Research Laboratories
Synthesis and Evaluation of Quinazolines as Inhibitors of the Bacterial Cell Division Protein FtsZ.EBI
ACS Med Chem Lett 6: 308-12 (2015)
University Of California Davis
Discovery of potent hexapeptide agonists to human neuromedin u receptor 1 and identification of their serum metabolites.EBI
ACS Med Chem Lett 6: 302-7 (2015)
Tokyo University Of Pharmacy And Life Sciences
Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM.EBI
ACS Med Chem Lett 6: 296-301 (2015)
Yuhan Research Institute
a-Carbonic Anhydrases Possess Thioesterase Activity.EBI
ACS Med Chem Lett 6: 292-5 (2015)
Universit£
Pyrido[4,3-e][1,2,4]triazolo[4,3-a]pyrazines as Selective, Brain Penetrant Phosphodiesterase 2 (PDE2) Inhibitors.EBI
ACS Med Chem Lett 6: 282-6 (2015)
Janssen Pharmaceutica
Discovery of DS-1558: A Potent and Orally Bioavailable GPR40 Agonist.EBI
ACS Med Chem Lett 6: 266-70 (2015)
Daiichi Sankyo
Identification of 8-aminoadenosine derivatives as a new class of human concentrative nucleoside transporter 2 inhibitors.EBI
ACS Med Chem Lett 6: 244-8 (2015)
Kissei Pharmaceutical
Discovery of Novel Multiacting Topoisomerase I/II and Histone Deacetylase Inhibitors.EBI
ACS Med Chem Lett 6: 239-43 (2015)
Fujian University Of Traditional Chinese Medicine
Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.EBI
ACS Med Chem Lett 6: 276-81 (2015)
Genentech
a-Adrenoceptor antagonistic and hypotensive properties of novel arylpiperazine derivatives of pyrrolidin-2-one.EBI
Bioorg Med Chem 23: 2104-11 (2015)
Jagiellonian University Medical College
New septanoside and 20-hydroxyecdysone septanoside derivative from Atriplex portulacoides roots with preliminary biological activities.EBI
Bioorg Med Chem Lett 25: 1665-70 (2015)
University Of Monastir
Small cyclic agonists of iron regulatory hormone hepcidin.EBI
Bioorg Med Chem Lett 25: 4961-9 (2015)
University Of California Los Angeles
Synthesis and biological evaluation of 2,4-diaminopyrimidines as selective Aurora A kinase inhibitors.EBI
Eur J Med Chem 95: 174-84 (2015)
Lanzhou University
Design and synthesis of celastrol derivatives as anticancer agents.EBI
Eur J Med Chem 95: 166-73 (2015)
Anhui Medical University
Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease.EBI
Eur J Med Chem 95: 153-65 (2015)
China Pharmaceutical University
Mechanistic studies of inactivation of inducible nitric oxide synthase by amidines.BDB
Biochemistry 54: 2530-8 (2015)
Northwestern University
Discovery of Orally Available Runt-Related Transcription Factor 3 (RUNX3) Modulators for Anticancer Chemotherapy by Epigenetic Activation and Protein Stabilization.EBI
J Med Chem 58: 3512-21 (2015)
Yonsei University
Rational design of triazololipopeptides analogs of kisspeptin inducing a long-lasting increase of gonadotropins.EBI
J Med Chem 58: 3459-70 (2015)
Umr7247
Synthesis and biological evaluation of nitrated 7-, 8-, 9-, and 10-hydroxyindenoisoquinolines as potential dual topoisomerase I (Top1)-tyrosyl-DNA phosphodiesterase I (TDP1) inhibitors.EBI
J Med Chem 58: 3188-208 (2015)
Purdue University
Neristatin 1 provides critical insight into bryostatin 1 structure-function relationships.EBI
J Nat Prod 78: 896-900 (2015)
National Cancer Institute-Bethesda
Design, synthesis and biological evaluation of colchicine derivatives as novel tubulin and histone deacetylase dual inhibitors.EBI
Eur J Med Chem 95: 127-35 (2015)
East China Normal University
Discovery of Potent Inhibitors of Schistosoma mansoni NAD┐ Catabolizing Enzyme.EBI
J Med Chem 58: 3582-92 (2015)
University Of Strasburg
Synthesis and structure-activity relationships of a series of 4-methoxy-3-(piperidin-4-yl)oxy benzamides as novel inhibitors of the presynaptic choline transporter.EBI
Bioorg Med Chem Lett 25: 1757-60 (2015)
Vanderbilt University Medical Center
Pseudosaccharin amines as potent and selective KV1.5 blockers.EBI
Bioorg Med Chem Lett 25: 4983-6 (2015)
Bristol-Myers Squibb Research And Development
Discovery of novel pyrazolopyrimidinone analogs as potent inhibitors of phosphodiesterase type-5.EBI
Bioorg Med Chem 23: 2121-8 (2015)
Csir-Indian Institute Of Integrative Medicine
Acyl-2-aminobenzimidazoles: a novel class of neuroprotective agents targeting mGluR5.EBI
Bioorg Med Chem 23: 2211-20 (2015)
University Of Maryland
Design and synthesis of novel quinoline-aminopiperidine hybrid analogues as Mycobacterium tuberculosis DNA gyraseB inhibitors.EBI
Bioorg Med Chem 23: 2062-78 (2015)
Birla Institute Of Technology
Cell-based biological evaluations of 5-(3-bromo-4-phenethoxybenzylidene)thiazolidine-2,4-dione as promising wound healing agent.EBI
Bioorg Med Chem 23: 2098-103 (2015)
Chosun University
Discovery of 4-(dihydropyridinon-3-yl)amino-5-methylthieno[2,3-d]pyrimidine derivatives as potent Mnk inhibitors: synthesis, structure-activity relationship analysis and biological evaluation.EBI
Eur J Med Chem 95: 116-26 (2015)
University Of South Australia
Macrocyclic compounds as anti-cancer agents: design and synthesis of multi-acting inhibitors against HDAC, FLT3 and JAK2.EBI
Eur J Med Chem 95: 104-15 (2015)
Central South University
Discovery of a potent, orally available dual CysLT1 and CysLT2 antagonist with dicarboxylic acid.EBI
Bioorg Med Chem 23: 2079-97 (2015)
Ono Pharmaceutical
Flavonoids: true or promiscuous inhibitors of enzyme? The case of deoxyxylulose phosphate reductoisomerase.BDB
Bioorg Chem 59: 140-4 (2015)
University Of Strasburg
Synthesis and optimization of picolinamide derivatives as a novel class of 11▀-hydroxysteroid dehydrogenase type 1 (11▀-HSD1) inhibitors.EBI
Bioorg Med Chem Lett 25: 1679-83 (2015)
Seoul National University
Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists.EBI
Bioorg Med Chem Lett 25: 1736-41 (2015)
RhôNe-Poulenc Rorer
Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.EBI
Bioorg Med Chem Lett 25: 1705-8 (2015)
Sumitomo Dainippon Pharma
Structure-based hybridization, synthesis and biological evaluation of novel tetracyclic heterocyclic azathioxanthone analogues as potential antitumor agents.EBI
Eur J Med Chem 103: 615-27 (2015)
Taipei Medical University
Design and Synthesis of Newa-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression.EBI
J Med Chem 58: 3534-47 (2015)
Shanghai Jiao Tong University
Volume of Distribution in Drug Design.EBI
J Med Chem 58: 5691-8 (2015)
Pharmacokinetics
Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.EBI
J Med Chem 59: 1410-24 (2016)
Glaxosmithkline
An efficient synthesis of SK-658 and its analogs as potent histone deacetylase inhibitors.BDB
Bioorg Chem 59: 145-50 (2015)
Kyushu Institute Of Technology
Structure-activity relationships of substituted 1H-indole-2-carboxamides as CB1 receptor allosteric modulators.EBI
Bioorg Med Chem 23: 2195-203 (2015)
Research Triangle Institute
A combination of in silico and SAR studies to identify binding hot spots of Bcl-xL inhibitors.EBI
Bioorg Med Chem 23: 1747-57 (2015)
Bioprojet-Biotech
Recent advances in the chemistry and biology of pyridopyrimidines.EBI
Eur J Med Chem 95: 76-95 (2015)
Universit£
Novel multitarget-directed ligands (MTDLs) with acetylcholinesterase (AChE) inhibitory and serotonergic subtype 4 receptor (5-HT4R) agonist activities as potential agents against Alzheimer's disease: the design of donecopride.EBI
J Med Chem 58: 3172-87 (2015)
Cermn
Discovery of orally active anticancer candidate CFI-400945 derived from biologically promising spirooxindoles: success and challenges.EBI
Eur J Med Chem 95: 35-40 (2015)
Zhengzhou University
Optimisation of LRRK2 inhibitors and assessment of functional efficacy in cell-based models of neuroinflammation.EBI
Eur J Med Chem 95: 29-34 (2015)
University Of Sydney
Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.EBI
Eur J Med Chem 95: 1-15 (2015)
Shandong University
Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Lead optimization.EBI
Bioorg Med Chem Lett 25: 1724-9 (2015)
Gedeon Richter
Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators.EBI
J Med Chem 58: 3522-33 (2015)
Astrazeneca
Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptora1 for the treatment of pain.EBI
J Med Chem 58: 2958-66 (2015)
University Of Pittsburgh
Design, Synthesis and Biological Evaluation of Imidazo[1,2-a]pyridine Derivatives as Novel DPP-4 Inhibitors.BDB
Chem Biol Drug Des 86: 849-56 (2015)
China Pharmaceutical University
Design, synthesis, in vitro, and in vivo anticancer and antiangiogenic activity of novel 3-arylaminobenzofuran derivatives targeting the colchicine site on tubulin.EBI
J Med Chem 58: 3209-22 (2015)
Universit£
Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14▀-dihydroxy-4,5a-epoxy-6a-(isoquinoline-3'-carboxamido)morphinan analogues as opioid receptor ligands.EBI
Bioorg Med Chem 23: 1701-15 (2015)
Virginia Commonwealth University
Synthesis of hydrolysis-resistant pyridoxal 5'-phosphate analogs and their biochemical and X-ray crystallographic characterization with the pyridoxal phosphatase chronophin.EBI
Bioorg Med Chem 23: 2819-27 (2015)
University Of W£Rzburg
Azachalcones: a new class of potent polyphenol oxidase inhibitors.EBI
Bioorg Med Chem Lett 25: 1753-6 (2015)
University Of Technology Sydney
trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site exploration using an amino linker.EBI
Bioorg Med Chem Lett 25: 1782-6 (2015)
Novartis Pharma
Discovery of a Cyclic Boronic Acid▀-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.EBI
J Med Chem 58: 3682-92 (2015)
Rempex Pharmaceuticals
Synthesis and bioactivity of▀-substituted fosmidomycin analogues targeting 1-deoxy-D-xylulose-5-phosphate reductoisomerase.EBI
J Med Chem 58: 2988-3001 (2015)
Universiteit Gent
Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.EBI
J Med Chem 58: 3223-52 (2015)
The Scripps Research Institute
Design, synthesis, and biological evaluation of novel 2-((2-(4-(substituted)phenylpiperazin-1-yl)ethyl)amino)-5'-N-ethylcarboxamidoadenosines as potent and selective agonists of the A2A adenosine receptor.EBI
J Med Chem 58: 3253-67 (2015)
Universit£
Design and synthesis of potent 1,2,4-trisubstituted imidazolinone derivatives with dual p38aMAPK and ERK1/2 inhibitory activity.EBI
Eur J Med Chem 94: 397-404 (2015)
Cairo University
Design, synthesis and evaluation of scutellarein-O-alkylamines as multifunctional agents for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 94: 348-66 (2015)
Sichuan University
Structure-activity studies in the development of a hydrazone based inhibitor of adipose-triglyceride lipase (ATGL).EBI
Bioorg Med Chem 23: 2904-16 (2015)
Graz University Of Technology
N-benzoyl-1,5-benzothiazepine and its S-oxide as vasopressin receptor ligands: insight into the active stereochemistry around the seven-membered ring.EBI
J Med Chem 58: 3268-73 (2015)
Teikyo University
Sulfonamide inhibition studies of the┐-carbonic anhydrase from the Antarctic cyanobacterium Nostoc commune.EBI
Bioorg Med Chem 23: 1728-34 (2015)
Universit£
Design, synthesis, and structure-activity relationships of 1-ethylpyrazole-3-carboxamide compounds as novel hypoxia-inducible factor (HIF)-1 inhibitors.EBI
Bioorg Med Chem 23: 1776-87 (2015)
Kyoto University
Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold.EBI
Bioorg Med Chem 23: 1858-68 (2015)
Zhejiang University
Development of a time-resolved fluorescence probe for evaluation of competitive binding to the cholecystokinin 2 receptor.EBI
Bioorg Med Chem 23: 1841-8 (2015)
University Of Arizona
?-sheet interfering molecules acting against ?-amyloid aggregation and fibrillogenesis.EBI
Bioorg Med Chem 23: 1671-83 (2015)
Sapienza University Of Rome
Cystargolides, 20S Proteasome Inhibitors Isolated from Kitasatospora cystarginea.EBI
J Nat Prod 78: 822-6 (2015)
University Of Prince Edward Island
General role of the amino and methylsulfamoyl groups in selective cyclooxygenase(COX)-1 inhibition by 1,4-diaryl-1,2,3-triazoles and validation of a predictive pharmacometric PLS model.EBI
Eur J Med Chem 94: 252-64 (2015)
Universit£
A facile synthesis and microtubule-destabilizing properties of 4-(1H-benzo[d]imidazol-2-yl)-furazan-3-amines.EBI
Eur J Med Chem 94: 237-51 (2015)
Special Design And Construction Bureau Sdcb&Quot;Technolog&Quot
Synthesis, biological evaluation and molecular modeling studies of the PPAR▀/d antagonist CC618.EBI
Eur J Med Chem 94: 229-36 (2015)
University Of Oslo
Discovery of HCV NS5B thumb site I inhibitors: core-refining from benzimidazole to indole scaffold.EBI
Eur J Med Chem 94: 218-28 (2015)
Shandong University
Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties.EBI
Eur J Med Chem 94: 195-210 (2015)
Universiti Sains Malaysia
Truncated structures used in search for new lead compounds and in a retrospective analysis of thienopyrimidine-based EGFR inhibitors.EBI
Eur J Med Chem 94: 175-94 (2015)
Norwegian University Of Science And Technology
Pure enantiomers of benzoylamino-tranylcypromine: LSD1 inhibition, gene modulation in human leukemia cells and effects on clonogenic potential of murine promyelocytic blasts.EBI
Eur J Med Chem 94: 163-74 (2015)
Sapienza University Of Rome
Water-soluble isoindolo[2,1-a]quinoxalin-6-imines: in vitro antiproliferative activity and molecular mechanism(s) of action.EBI
Eur J Med Chem 94: 149-62 (2015)
Universit£
Dual inhibition of allosteric mitogen-activated protein kinase (MEK) and phosphatidylinositol 3-kinase (PI3K) oncogenic targets with a bifunctional inhibitor.EBI
Bioorg Med Chem 23: 1386-94 (2015)
The University Of Michigan Medical School
Synthesis and biological evaluation of spirocyclic antagonists of CCR2 (chemokine CC receptor subtype 2).EBI
Bioorg Med Chem 23: 4034-49 (2015)
Westf£Lische Wilhelms-Universit£T M£Nster
A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.EBI
Bioorg Med Chem 23: 1828-40 (2015)
Universit£
Development of 2-amino-5-phenylthiophene-3-carboxamide derivatives as novel inhibitors of Mycobacterium tuberculosis DNA GyrB domain.EBI
Bioorg Med Chem 23: 1402-12 (2015)
Birla Institute Of Technology
Synthesis of a chondroitin sulfate disaccharide library and a GAG-binding protein interaction analysis.EBI
Bioorg Med Chem Lett 25: 1407-11 (2015)
Kagoshima University
Synthesis and biological evaluation of isoxazoline derivatives as potent M1 muscarinic acetylcholine receptor agonists.EBI
Bioorg Med Chem Lett 25: 1546-51 (2015)
Korea Institute Of Science And Technology
Design, synthesis and antiproliferative activity evaluation of m-(4-morpholinyl-1,3,5-triazin-2-yl)benzamides in vitro.EBI
Bioorg Med Chem Lett 25: 1730-5 (2015)
Xi'An Jiaotong University
Novel series of benzoquinones with high potency against 5-lipoxygenase in human polymorphonuclear leukocytes.EBI
Eur J Med Chem 94: 132-9 (2015)
University Of Naples
Computer aided drug discovery of highly ligand efficient, low molecular weight imidazopyridine analogs as FLT3 inhibitors.EBI
Eur J Med Chem 94: 123-31 (2015)
The University Of Arizona
Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening.EBI
J Med Chem 58: 2799-808 (2015)
Bristol-Myers Squibb
The Discovery of Orally Bioavailable Tyrosine Threonine Kinase (TTK) Inhibitors: 3-(4-(heterocyclyl)phenyl)-1H-indazole-5-carboxamides as Anticancer Agents.EBI
J Med Chem 58: 3366-92 (2015)
Entremed
Niraparib: A Poly(ADP-ribose) Polymerase (PARP) Inhibitor for the Treatment of Tumors with Defective Homologous Recombination.EBI
J Med Chem 58: 3302-14 (2015)
Istituto Di Ricerche Di Biologia Molecolare
3'-functionalized adamantyl cannabinoid receptor probes.EBI
J Med Chem 58: 3104-16 (2015)
University Of Hawaii At Manoa
Synthesis and binding properties of new long-chain 4-substituted piperazine derivatives as 5-HT1A and 5-HT7 receptor ligands.EBI
Bioorg Med Chem Lett 25: 1427-30 (2015)
Universit£
Design, synthesis and docking study of novel tetracyclic oxindole derivatives asa-glucosidase inhibitors.EBI
Bioorg Med Chem Lett 25: 1471-5 (2015)
Key Laboratory Of Industrial Fermentation Microbiology (Tianjin University Of Science And Technology)
(18)F-AmBF3-MJ9: a novel radiofluorinated bombesin derivative for prostate cancer imaging.EBI
Bioorg Med Chem 23: 1500-6 (2015)
Bc Cancer Agency
New approaches to the synthesis of sildenafil analogues and their enzyme inhibitory activity.EBI
Bioorg Med Chem 23: 1421-9 (2015)
Siedlce University Of Natural Sciences And Humanities
Luotonin-A based quinazolinones cause apoptosis and senescence via HDAC inhibition and activation of tumor suppressor proteins in HeLa cells.EBI
Eur J Med Chem 94: 87-101 (2015)
Csir-Indian Institute Of Chemical Technology
Bacillusin A, an Antibacterial Macrodiolide from Bacillus amyloliquefaciens AP183.EBI
J Nat Prod 78: 924-8 (2015)
Lucigen
The discovery of potent agonists for GPR88, an orphan GPCR, for the potential treatment of CNS disorders.EBI
Bioorg Med Chem Lett 25: 1443-7 (2015)
Lexicon Pharmaceuticals
8-(3-chloro-4-methoxybenzyl)-8H-pyrido[2,3-d]pyrimidin-7-one derivatives as potent and selective phosphodiesterase 5 inhibitors.EBI
Bioorg Med Chem Lett 25: 1431-5 (2015)
Mitsubishi Tanabe Pharma
trans-3,4-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part II: prime site exploration using an oxygen linker.EBI
Bioorg Med Chem Lett 25: 1787-91 (2015)
Novartis Pharma
Synthesis of 6-aryl-substituted sulfocoumarins and investigation of their carbonic anhydrase inhibitory action.EBI
Bioorg Med Chem 23: 1430-6 (2015)
Latvian Institute Of Organic Synthesis
Design and synthesis of a novel series of [1-(4-hydroxy-benzyl)-1H-indol-5-yloxy]-acetic acid compounds as potent, selective, thyroid hormone receptor▀ agonists.EBI
Bioorg Med Chem Lett 25: 1377-80 (2015)
Eli Lilly
Syntheses of chondroitin sulfate tetrasaccharide structures containing 4,6-disulfate patterns and analysis of their interaction with glycosaminoglycan-binding protein.EBI
Bioorg Med Chem Lett 25: 1552-5 (2015)
Kagoshima University
Loratadine analogues as MAGL inhibitors.EBI
Bioorg Med Chem Lett 25: 1436-42 (2015)
University Of Eastern Finland
Synthesis and evaluation of tetrahydroindazole derivatives as sigma-2 receptor ligands.EBI
Bioorg Med Chem 23: 1463-71 (2015)
Guangdong Medical College
Design and synthesis of norendoxifen analogues with dual aromatase inhibitory and estrogen receptor modulatory activities.EBI
J Med Chem 58: 2623-48 (2015)
Purdue University
Identification of 2,4-diamino-6,7-dimethoxyquinoline derivatives as G9a inhibitors?Electronic supplementary information (ESI) available. See DOI: 10.1039/c4md00274a.EBI
Medchemcomm 5: 1821-1828 (2014)
Imperial College London
Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities.EBI
Bioorg Med Chem Lett 25: 1390-3 (2015)
Karl-Franzens-University
Discovery of novel S1P2 antagonists. Part 1: discovery of 1,3-bis(aryloxy)benzene derivatives.EBI
Bioorg Med Chem Lett 25: 1479-82 (2015)
Ono Pharmaceutical
SAH derived potent and selective EZH2 inhibitors.EBI
Bioorg Med Chem Lett 25: 1532-7 (2015)
Pfizer
The adenosine receptor affinities and monoamine oxidase B inhibitory properties of sulfanylphthalimide analogues.BDB
Bioorg Chem 59: 117-23 (2015)
North-West University
Inhibitor recognition specificity of MERS-CoV papain-like protease may differ from that of SARS-CoV.BDB
ACS Chem Biol 10: 1456-65 (2015)
University Of Illinois At Chicago
Recent advances of chroman-4-one derivatives: synthetic approaches and bioactivities.EBI
Eur J Med Chem 93: 539-63 (2015)
Mazandaran University Of Medical Sciences
LEADOPT: an automatic tool for structure-based lead optimization, and its application in structural optimizations of VEGFR2 and SYK inhibitors.EBI
Eur J Med Chem 93: 523-38 (2015)
Sichuan University
Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor.EBI
Eur J Med Chem 93: 501-10 (2015)
University Of Otago
Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone disorders (Part I).EBI
J Med Chem 58: 3060-82 (2015)
Euroscreen
Discovery and optimization of a novel series of Dyrk1B kinase inhibitors to explore a MEK resistance hypothesis.EBI
J Med Chem 58: 2834-44 (2015)
Astrazeneca
Affinity and kinetics study of anthranilic acids as HCA2 receptor agonists.EBI
Bioorg Med Chem 23: 4013-25 (2015)
Leiden University
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.EBI
Bioorg Med Chem Lett 25: 1597-602 (2015)
Merck Serono
Novel▀-amyloid aggregation inhibitors possessing a turn mimic.EBI
Bioorg Med Chem Lett 25: 1572-6 (2015)
Kobe Pharmaceutical University
Design, synthesis and preliminary biological evaluation of C-8 substituted guanine derivatives as small molecular inhibitors of FGFRs.EBI
Bioorg Med Chem Lett 25: 1556-60 (2015)
Health Science Center Xi'An Jiaotong University
Stereoselective synthesis, biological evaluation, and modeling of novel bile acid-derived G-protein coupled bile acid receptor 1 (GP-BAR1, TGR5) agonists.EBI
Bioorg Med Chem 23: 1613-28 (2015)
The Beckman Research Institute
Perturbation of the c-Myc-Max protein-protein interaction via synthetic ?-helix mimetics.EBI
J Med Chem 58: 3002-24 (2015)
University Of Maryland
Design and synthesis of orally bioavailable aminopyrrolidinone histone deacetylase 6 inhibitors.EBI
J Med Chem 58: 2809-20 (2015)
Roche Innovation Center Shanghai
Peroxisome Proliferator-Activated Receptor┐ (PPAR┐) and Ligand Choreography: Newcomers Take the Stage.EBI
J Med Chem 58: 5381-94 (2015)
Universitat Rovira I Virgili (Urv)
Molecular determinants of biased agonism at the dopamine D2 receptor.EBI
J Med Chem 58: 2703-17 (2015)
Friedrich-Alexander University
Synthesis, biological investigation and molecular docking study of N-malonyl-1,2-dihydroisoquinoline derivatives as brain specific and shelf-stable MAO inhibitors.EBI
Eur J Med Chem 93: 481-91 (2015)
Assiut University
10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acids are selective inhibitors of DYRK1A.EBI
J Med Chem 58: 3131-43 (2015)
Technische Universit£T Braunschweig
A novel cell-permeable, selective, and noncompetitive inhibitor of KAT3 histone acetyltransferases from a combined molecular pruning/classical isosterism approach.EBI
J Med Chem 58: 2779-98 (2015)
Universit£
Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.EBI
Bioorg Med Chem Lett 25: 1592-6 (2015)
Merck Research Laboratories
Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.EBI
Bioorg Med Chem Lett 25: 1635-42 (2015)
Bristol-Myers Squibb
Identification of fused 16▀,17▀-oxazinone-estradiol derivatives as a new family of non-estrogenic 17▀-hydroxysteroid dehydrogenase type 1 inhibitors.EBI
Eur J Med Chem 93: 470-80 (2015)
Universit£
(3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase.EBI
Eur J Med Chem 93: 452-60 (2015)
University Of Cagliari
Design, synthesis, and evaluation of NO-donor containing carbonic anhydrase inhibitors to lower intraocular pressure.EBI
J Med Chem 58: 2821-33 (2015)
Pfizer
Effect of the tyrosinase inhibitor (S)-N-trans-feruloyloctopamine from garlic skin on tyrosinase gene expression and melanine accumulation in melanoma cells.EBI
Bioorg Med Chem Lett 25: 1476-8 (2015)
Gansu College Of Traditional Chinese Medicine
Structure-activity study for (bis)ureidopropyl- and (bis)thioureidopropyldiamine LSD1 inhibitors with 3-5-3 and 3-6-3 carbon backbone architectures.EBI
Bioorg Med Chem 23: 1601-12 (2015)
John Hopkins University
2-Benzisothiazolylimino-5-benzylidene-4-thiazolidinones as protective agents against cartilage destruction.EBI
Bioorg Med Chem 23: 1551-6 (2015)
University Of Catania
Ether analogues of DPA-714 with subnanomolar affinity for the translocator protein (TSPO).EBI
Eur J Med Chem 93: 392-400 (2015)
Stanford University School Of Medicine
Design, synthesis and evaluation of novel 5,6,7-trimethoxyflavone-6-chlorotacrine hybrids as potential multifunctional agents for the treatment of Alzheimer's disease.EBI
Bioorg Med Chem Lett 25: 1541-5 (2015)
Wenzhou Medical University
The discovery of Polo-like kinase 4 inhibitors: identification of (1R,2S).2-(3-((E).4-(((cis).2,6-dimethylmorpholino)methyl)styryl). 1H.indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one (CFI-400945) as a potent, orally active antitumor agent.EBI
J Med Chem 58: 147-69 (2015)
TBA
In silico studies, synthesis and binding evaluation of substituted 2-pyrrolidinones as peptidomimetics of RGD tripeptide sequence.EBI
Eur J Med Chem 93: 360-72 (2015)
Universit£
Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B.EBI
J Med Chem 58: 2553-9 (2015)
Cancer Research Uk Cancer Therapeutics Unit
Discovery of hydroxyaniline amides as selective Extracellular Regulated Kinase (Erk) inhibitors.EBI
Bioorg Med Chem Lett 25: 1627-9 (2015)
Merck Research Laboratories
Triazole-containing N-acyl homoserine lactones targeting the quorum sensing system in Pseudomonas aeruginosa.EBI
Bioorg Med Chem 23: 1638-50 (2015)
Technical University Of Denmark
A photorhabdus natural product inhibits insect juvenile hormone epoxide hydrolase.BDB
Chembiochem 16: 766-71 (2015)
Goethe Universitńt Frankfurt
Novel pyridyl substituted 4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolines as potent and selective aldosterone synthase inhibitors with improved in vitro metabolic stability.EBI
J Med Chem 58: 2530-7 (2015)
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)
Synthesis and Evaluation of 3-(furo[2,3-b]pyridin-3-yl)-4-(1H-indol-3-yl)-maleimides as Novel GSK-3▀ Inhibitors and Anti-Ischemic Agents.BDB
Chem Biol Drug Des 86: 746-52 (2015)
Zhejiang University Of Technology
Discovery of Intestinal Targeted TGR5 Agonists for the Treatment of Type 2 Diabetes.EBI
J Med Chem 58: 3315-28 (2015)
Chinese Academy Of Sciences
Discovery and evaluation of a novel monocyclic series of CXCR2 antagonists.EBI
Bioorg Med Chem Lett 25: 1616-20 (2015)
Astrazeneca
Minimization of drug-drug interaction risk and candidate selection in a natural product-based class of gamma-secretase modulators.EBI
Bioorg Med Chem Lett 25: 1621-6 (2015)
Satori Pharmaceuticals
Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents.EBI
Bioorg Med Chem 23: 1629-37 (2015)
Jagiellonian University Medical College
Computer-guided drug repurposing: identification of trypanocidal activity of clofazimine, benidipine and saquinavir.EBI
Eur J Med Chem 93: 338-48 (2015)
National University Of La Plata (Unlp)
Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 4: design, synthesis and biological evaluation of novel imidazo[1,2-a]pyrazines.EBI
Eur J Med Chem 93: 330-7 (2015)
Shandong University
Exploring new selective 3-benzylquinoxaline-based MAO-A inhibitors: design, synthesis, biological evaluation and docking studies.EBI
Eur J Med Chem 93: 308-20 (2015)
Alexandria University
Synthesis, antioxidant and anticholinesterase activities of novel coumarylthiazole derivatives.BDB
Bioorg Chem 59: 80-90 (2015)
Bezmialem Vakif University
2-Aryl-3-methyloctahydrophenanthrene-2,3,7-triols as potent dissociated glucocorticoid receptor agonists.EBI
J Med Chem 58: 2658-77 (2015)
TBA
Synthesis and biological evaluation of 3-aminoisoquinolin-1(2H)-one based inhibitors of the dual-specificity phosphatase Cdc25B.EBI
Bioorg Med Chem 23: 2810-8 (2015)
University Of Pittsburgh
Synthesis, biological evaluation and 3D-QSAR studies of novel 5-phenyl-1H-pyrazol cinnamamide derivatives as novel antitubulin agents.EBI
Eur J Med Chem 93: 291-9 (2015)
Nanjing University
Novel 1-(2-aryl-2-adamantyl)piperazine derivatives with antiproliferative activity.EBI
Eur J Med Chem 93: 281-90 (2015)
University Of Athens
Novel 4-substituted-N,N-dimethyltetrahydronaphthalen-2-amines: synthesis, affinity, and in silico docking studies at serotonin 5-HT2-type and histamine H1 G protein-coupled receptors.EBI
Bioorg Med Chem 23: 1588-600 (2015)
University Of Florida
Cannabidiol (CBD) and its analogs: a review of their effects on inflammation.EBI
Bioorg Med Chem 23: 1377-85 (2015)
University Of Massachusetts Medical School
Novel tail and head group prostamide probes.EBI
Bioorg Med Chem Lett 25: 1228-31 (2015)
Northeastern University
Synthesis and SAR studies of analogues of 4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-N-thiazol-2-yl-benzamide (Lu AA41063) as adenosine A2A receptor ligands with improved aqueous solubility.EBI
Bioorg Med Chem Lett 25: 1212-6 (2015)
H. Lundbeck
Potent and selective Bruton's tyrosine kinase inhibitors: discovery of GDC-0834.EBI
Bioorg Med Chem Lett 25: 1333-7 (2015)
Genentech
Inhibition of monoamine oxidase by indole-5,6-dicarbonitrile derivatives.EBI
Bioorg Med Chem Lett 25: 1206-11 (2015)
Yaroslavl State Technical University
Identification of the molecular basis of inhibitor selectivity between the human and streptococcal type I methionine aminopeptidases.EBI
J Med Chem 58: 2350-7 (2015)
Csir-Indian Institute Of Chemical Technology
5'-C-Ethyl-tetrazolyl-N(6)-substituted adenosine and 2-chloro-adenosine derivatives as highly potent dual acting A1 adenosine receptor agonists and A3 adenosine receptor antagonists.EBI
J Med Chem 58: 2560-6 (2015)
University Of Camerino
Identification of histone deacetylase inhibitors with benzoylhydrazide scaffold that selectively inhibit class I histone deacetylases.BDB
Chem Biol 22: 273-84 (2015)
University Of Florida College Of Medicine
Development of novel ACK1/TNK2 inhibitors using a fragment-based approach.EBI
J Med Chem 58: 2746-63 (2015)
University Of South Florida
Discovery of potent and selective 8-fluorotriazolopyridine c-Met inhibitors.EBI
J Med Chem 58: 2417-30 (2015)
Amgen
Structural Insights for the Optimization of Dihydropyrimidin-2(1H)-one Based mPGES-1 Inhibitors.EBI
ACS Med Chem Lett 6: 187-91 (2015)
University Of Salerno
Treating pain with somatostatin receptor subtype 4 agonists.EBI
ACS Med Chem Lett 6: 110-1 (2015)
Therachem Research Medilab (India)
The role of enhancer of zeste homologue 2 inhibitors in controlling epigenetics and their potential for cancer treatment.EBI
ACS Med Chem Lett 6: 108-9 (2015)
Therachem Research Medilab (India)
Allosteric modulators: an emerging concept in drug discovery.EBI
ACS Med Chem Lett 6: 104-7 (2015)
Therachem Research Medilab (India)
Improved Synthesis of Biotinol-5'-AMP: Implications for Antibacterial Discovery.EBI
ACS Med Chem Lett 6: 216-20 (2015)
University Of Adelaide
An Orally Available BACE1 Inhibitor That Affords Robust CNS A▀ Reduction without Cardiovascular Liabilities.EBI
ACS Med Chem Lett 6: 210-5 (2015)
Amgen
Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis.EBI
ACS Med Chem Lett 6: 198-203 (2015)
University Of Lille
Azepinone-Containing Tetrapeptide Analogues of Melanotropin Lead to Selective hMC4R Agonists and hMC5R Antagonist.EBI
ACS Med Chem Lett 6: 192-7 (2015)
Vrije Universiteit Brussel
Interconversion of Functional Activity by Minor Structural Alterations in Nonpeptide AT2 Receptor Ligands.EBI
ACS Med Chem Lett 6: 178-82 (2015)
Uppsala University
Pure Diastereomers of a Tranylcypromine-Based LSD1 Inhibitor: Enzyme Selectivity and In-Cell Studies.EBI
ACS Med Chem Lett 6: 173-7 (2015)
Sapienza University Of Rome
Potent Irreversible Inhibitors of LasR Quorum Sensing in Pseudomonas aeruginosa.EBI
ACS Med Chem Lett 6: 162-7 (2015)
Rowan University
Evaluation and synthesis of polar aryl- and heteroaryl spiroazetidine-piperidine acetamides as ghrelin inverse agonists.EBI
ACS Med Chem Lett 6: 156-61 (2015)
Pfizer
Diphenylpyrazoles as replication protein a inhibitors.EBI
ACS Med Chem Lett 6: 140-5 (2015)
Vanderbilt University School Of Medicine
Melanocortin antagonist tetrapeptides with minimal agonist activity at the mouse melanocortin-3 receptor.EBI
ACS Med Chem Lett 6: 123-7 (2015)
University Of Minnesota
Novel Pyridyloxadiazole Agonists of Sphingosin-1-phosphate.EBI
ACS Med Chem Lett 6: 102-3 (2015)
Dart Neuroscience
Design, synthesis and SAR studies of GABA uptake inhibitors derived from 2-substituted pyrrolidine-2-yl-acetic acids.EBI
Bioorg Med Chem 23: 1284-306 (2015)
Ludwig-Maximilians-Universit£T M£Nchen
Structural requirements for TLR7-selective signaling by 9-(4-piperidinylalkyl)-8-oxoadenine derivatives.EBI
Bioorg Med Chem Lett 25: 1318-23 (2015)
Glaxosmithkline
Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.EBI
J Med Chem 58: 2649-57 (2015)
Slovak Academy Of Sciences
The discovery of macrocyclic XIAP antagonists from a DNA-programmed chemistry library, and their optimization to give lead compounds with in vivo antitumor activity.EBI
J Med Chem 58: 2855-61 (2015)
Ensemble Therapeutics
Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design.EBI
J Med Chem 58: 2678-702 (2015)
Eurofarma Laboratorios
Semisynthetic Studies on and Biological Evaluation of N-Methyllaurotetanine Analogues as Ligands for 5-HT Receptors.EBI
J Nat Prod 78: 722-9 (2015)
City University Of New York
Restoration of Chemosensitivity in P-Glycoprotein-Dependent Multidrug-Resistant Cells by Dihydro-▀-agarofuran Sesquiterpenes from Celastrus vulcanicola.EBI
J Nat Prod 78: 736-45 (2015)
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Iubo-Ag)
6,7-Dihydrobenzo[f]benzo[4,5]imidazo[1,2-d][1,4]oxazepine derivatives as selective inhibitors of PI3Ka.EBI
Bioorg Med Chem 23: 1231-40 (2015)
Nanjing University
Design, synthesis, and evaluation of phenylglycinols and phenyl amines as agonists of GPR88.EBI
Bioorg Med Chem Lett 25: 1448-52 (2015)
Bristol-Myers Squibb
Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma.EBI
Bioorg Med Chem Lett 25: 1217-22 (2015)
RhôNe-Poulenc Rorer
Acredinones A and B, voltage-dependent potassium channel inhibitors from the sponge-derived fungus Acremonium sp. F9A015.EBI
J Nat Prod 78: 363-7 (2015)
Seoul National University
Exploitation of the ability of┐-tocopherol to facilitate membrane co-localization of Akt and PHLPP1 to develop PHLPP1-targeted Akt inhibitors.EBI
J Med Chem 58: 2290-8 (2015)
The Ohio State University
Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.EBI
J Med Chem 58: 2538-46 (2015)
Second Military Medical University
Synthesis and biological evaluation of novel pyrrolidine acid analogs as potent dual PPARa/┐ agonists.EBI
Bioorg Med Chem Lett 25: 1196-205 (2015)
Bristol-Myers Squibb Research And Development (R & D)
Novel thiazole-thiophene conjugates as adenosine receptor antagonists: synthesis, biological evaluation and docking studies.EBI
Bioorg Med Chem Lett 25: 1306-9 (2015)
B. V. Patel Pharmaceutical Education And Research Development (Perd) Centre
Structure-based modification of 3-/4-aminoacetophenones giving a profound change of activity on tyrosinase: from potent activators to highly efficient inhibitors.EBI
Eur J Med Chem 93: 255-62 (2015)
Sun Yat-Sen University
Myxochelins target human 5-lipoxygenase.EBI
J Nat Prod 78: 335-8 (2015)
Leibniz-Institute For Natural Product Research And Infection Biology
Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead.EBI
J Med Chem 58: 2465-88 (2015)
University Of Navarra
Solid-Supported Synthesis and 5-HT7 /5-HT1A Receptor Affinity of Arylpiperazinylbutyl Derivatives of 4,5-dihydro-1,2,4-triazine-6-(1H)-one.BDB
Chem Biol Drug Des 86: 697-703 (2015)
Jagiellonian University Medical College
3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae.EBI
Bioorg Med Chem 23: 1321-40 (2015)
Virginia Tech
Synthesis and biological evaluation of 3-phenyl-3-aryl carboxamido propanoic acid derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26A1).EBI
Bioorg Med Chem 23: 1356-65 (2015)
Key Laboratory Of Structure-Based Drug Design And Discovery (Shenyang Pharmaceutical University)
Synthesis and biological evaluation of 4-nitroindole derivatives as 5-HT2A receptor antagonists.EBI
Bioorg Med Chem 23: 1313-20 (2015)
Ewha Womans University
Discovery and SAR of novel series of imidazopyrimidinones and dihydroimidazopyrimidinones as positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5).EBI
Bioorg Med Chem Lett 25: 1310-7 (2015)
Janssen Pharmaceutica
Pyrido-imidazodiazepinones as a new class of reversible inhibitors of human kallikrein 7.EBI
Eur J Med Chem 93: 202-13 (2015)
University Of Montpellier
Benzofuran-derived benzylpyridinium bromides as potent acetylcholinesterase inhibitors.EBI
Eur J Med Chem 93: 196-201 (2015)
Islamic Azad University
Neoechinulin B and its analogues as potential entry inhibitors of influenza viruses, targeting viral hemagglutinin.EBI
Eur J Med Chem 93: 182-95 (2015)
Peking University
Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen.EBI
J Med Chem 58: 1717-35 (2015)
The Institute Of Cancer Research
A binding mode hypothesis of tiagabine confirms liothyronine effect on┐-aminobutyric acid transporter 1 (GAT1).EBI
J Med Chem 58: 2149-58 (2015)
University Of Vienna
Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.EBI
J Med Chem 58: 2180-94 (2015)
Abbvie
Discovery and structure-activity relationship studies of N6-benzoyladenine derivatives as novel BRD4 inhibitors.EBI
Bioorg Med Chem 23: 953-9 (2015)
The University Of Tokyo
Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity.EBI
Bioorg Med Chem 23: 5156-67 (2015)
Universitat De Barcelona
Rat hormone sensitive lipase inhibition by cyclipostins and their analogs.EBI
Bioorg Med Chem 23: 944-52 (2015)
University Of Missouri St. Louis
Design, synthesis and evaluation of chromone-2-carboxamido-alkylbenzylamines as multifunctional agents for the treatment of Alzheimer's disease.EBI
Bioorg Med Chem 23: 911-23 (2015)
Sichuan University
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.EBI
Bioorg Med Chem Lett 25: 1338-42 (2015)
Vertex Pharmaceuticals
Design and discovery of 2-oxochromene derivatives as liver X receptor▀-selective agonists.EBI
Bioorg Med Chem Lett 25: 1274-8 (2015)
Kowa
Synthesis and biological evaluation of aryl isoxazole derivatives as metabotropic glutamate receptor 1 antagonists: a potential treatment for neuropathic pain.EBI
Bioorg Med Chem Lett 25: 1324-8 (2015)
Yonsei University
A novel molecule with notable activity against multi-drug resistant tuberculosis.EBI
Bioorg Med Chem Lett 25: 1269-73 (2015)
University Of Georgia
Structure-based design of potent small-molecule binders to the S-component of the ECF transporter for thiamine.BDB
Chembiochem 16: 819-26 (2015)
University Of Groningen
Selective, nontoxic CB(2) cannabinoid o-quinone with in vivo activity against triple-negative breast cancer.EBI
J Med Chem 58: 2256-64 (2015)
Instituto De Qu£Mica M£Dica
Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors: discovery of 2-[4-(3-{(r)-1-[4-(2-amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915).EBI
J Med Chem 58: 1669-90 (2015)
Boehringer Ingelheim Pharmaceuticals
Structure-based lead optimization and biological evaluation of BAX direct activators as novel potential anticancer agents.EBI
J Med Chem 58: 2135-48 (2015)
Universit£
C-Terminal modifications of apelin-13 significantly change ligand binding, receptor signaling, and hypotensive action.EBI
J Med Chem 58: 2431-40 (2015)
Universit£
When structure-affinity relationships meet structure-kinetics relationships: 3-((Inden-1-yl)amino)-1-isopropyl-cyclopentane-1-carboxamides as CCR2 antagonists.EBI
Eur J Med Chem 93: 121-34 (2015)
Leiden University
Synthesis of benzopentathiepin analogs and their evaluation as inhibitors of the phosphatase STEP.EBI
Bioorg Med Chem Lett 25: 1044-6 (2015)
Yale University
Synthesis and SAR study of potent and selective PI3Kd inhibitors.EBI
Bioorg Med Chem Lett 25: 1104-9 (2015)
Amgen
Discovery of non-electrophilic capsaicinoid-type TRPA1 ligands.EBI
Bioorg Med Chem Lett 25: 1009-11 (2015)
Universit£
Marine natural products as inhibitors of cystathionine beta-synthase activity.EBI
Bioorg Med Chem Lett 25: 1064-6 (2015)
University Of Utah
Discovery of a new series of potent prostacyclin receptor agonists with in vivo activity in rat.EBI
Bioorg Med Chem Lett 25: 1030-5 (2015)
Arena Pharmaceuticals
2,3-Dihydroquinazolin-4(1H)-one derivatives as potential non-peptidyl inhibitors of cathepsins B and H.BDB
Bioorg Chem 59: 12-22 (2015)
Kurukshetra University
Synthesis and biological evaluation of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-(indol-3-yl)-maleimides as potent, selective GSK-3▀ inhibitors and neuroprotective agents.EBI
Bioorg Med Chem 23: 1179-88 (2015)
Zhejiang University
Dibenzosuberyl substituted polyamines and analogs of clomipramine as effective inhibitors of trypanothione reductase; molecular docking, and assessment of trypanocidal activities.EBI
Bioorg Med Chem 23: 996-1010 (2015)
Canisius College
Rational design, synthesis and structure-activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors.EBI
Bioorg Med Chem 23: 924-31 (2015)
Sun Yat-Sen University
Pyridine C-region analogs of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists.EBI
Eur J Med Chem 93: 101-8 (2015)
Seoul National University
Synthesis and biological evaluation of pyridazino[1',6':1,2]pyrido[3,4-b]indolinium and pyridazino[1,6-a]benzimidazolium salts as anti-inflammatory agents.EBI
Eur J Med Chem 93: 83-92 (2015)
Instituto De Salud Hospital Universitario La Paz - Idipaz
Design, synthesis and docking studies of novel thienopyrimidine derivatives bearing chromone moiety as mTOR/PI3Ka inhibitors.EBI
Eur J Med Chem 93: 64-73 (2015)
Jiangxi Science & Technology Normal University
Synthesis and structure-activity relationship study of a new series of selectives(1) receptor ligands for the treatment of pain: 4-aminotriazoles.EBI
J Med Chem 58: 2441-51 (2015)
Esteve
Engineering potent and selective analogues of GpTx-1, a tarantula venom peptide antagonist of the Na(V)1.7 sodium channel.EBI
J Med Chem 58: 2299-314 (2015)
Amgen
Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties.EBI
Eur J Med Chem 93: 42-50 (2015)
China Pharmaceutical University
Piperidine-3,4-diol and piperidine-3-ol derivatives of pyrrolo[2,1-f][1,2,4]triazine as inhibitors of anaplastic lymphoma kinase.EBI
Bioorg Med Chem Lett 25: 1047-52 (2015)
Teva Branded Pharmaceutical Products R & D
Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3▀ inhibitors for Alzheimer's disease.EBI
Bioorg Med Chem Lett 25: 1086-91 (2015)
Mitsubishi Tanabe Pharma
Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach.EBI
J Med Chem 58: 2275-89 (2015)
F. Hoffmann-La Roche
Using click chemistry toward novel 1,2,3-triazole-linked dopamine D3 receptor ligands.EBI
Bioorg Med Chem 23: 4000-12 (2015)
National Institute On Drug Abuse-Intramural Research Program
Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease.EBI
Bioorg Med Chem 23: 1102-11 (2015)
Georgetown University
Synthesis and pharmacological characterization of 2-aminobenzaldehyde oxime analogs as dual inhibitors of neutrophil elastase and proteinase 3.EBI
Bioorg Med Chem 23: 1123-34 (2015)
Chang Gung University
Computer-aided discovery of aminopyridines as novel JAK2 inhibitors.EBI
Bioorg Med Chem 23: 985-95 (2015)
Chonnam National University
Transporter-mediated tissue targeting of therapeutic molecules in drug discovery.EBI
Bioorg Med Chem Lett 25: 993-7 (2015)
Eli Lilly
Cell-based and virtual fragment screening for adrenergica2C receptor agonists.EBI
Bioorg Med Chem 23: 3991-9 (2015)
Gedeon Richter Plc., Gy�Mroi�T 19-21, Budapest H-1103, Hungary.
Discovery of phenylpiperazine derivatives as IGF-1R inhibitor with potent antiproliferative properties in vitro.EBI
Bioorg Med Chem Lett 25: 1067-71 (2015)
Shandong University Of Technology
Synthesis and biological evaluation of second-generation tropanol-based androgen receptor modulators.EBI
J Med Chem 58: 1569-74 (2015)
University Of Gothenburg
Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor.EBI
Eur J Med Chem 93: 16-32 (2015)
Zhejiang University
Discovery of AZD3147: a potent, selective dual inhibitor of mTORC1 and mTORC2.EBI
J Med Chem 58: 2326-49 (2015)
Astrazeneca
Structure-activity relationship studies and in vivo activity of guanidine-based sphingosine kinase inhibitors: discovery of SphK1- and SphK2-selective inhibitors.EBI
J Med Chem 58: 1879-99 (2015)
Virginia Tech
Selective nonpeptidic fluorescent ligands for oxytocin receptor: design, synthesis, and application to time-resolved FRET binding assay.EBI
J Med Chem 58: 2547-52 (2015)
University Of Strasburg
Synthesis, characterization, and optimization for in vivo delivery of a nonselective isopeptidase inhibitor as new antineoplastic agent.EBI
J Med Chem 58: 1691-704 (2015)
Universit£
Chalcones and their therapeutic targets for the management of diabetes: structural and pharmacological perspectives.EBI
Eur J Med Chem 92: 839-65 (2015)
Guru Ghasidas Vishwavidyalaya (A Central University)
Scaffold hopping: exploration of acetanilide-containing uracil analogues as potential NNRTIs.EBI
Bioorg Med Chem 23: 1069-81 (2015)
Volgograd State Medical University
Design, synthesis, and biological evaluation of novel 2-methylpiperazine derivatives as potent CCR5 antagonists.EBI
Bioorg Med Chem 23: 1157-68 (2015)
Zhejiang University
GPCR crystal structures: Medicinal chemistry in the pocket.EBI
Bioorg Med Chem 23: 3880-906 (2015)
Friedrich-Alexander University
6-Sulfonylbenzothiazolones as potential scaffolds for the design of 5-HT6 ligands.EBI
Eur J Med Chem 92: 807-17 (2015)
Universities Of Lille
Discovery of biphenyl-based VEGFR-2 inhibitors. Part 3: design, synthesis and 3D-QSAR studies.EBI
Bioorg Med Chem 23: 1044-54 (2015)
Xi'An Jiaotong University
Structural development of stapled short helical peptides as vitamin D receptor (VDR)-coactivator interaction inhibitors.EBI
Bioorg Med Chem 23: 1055-61 (2015)
National Institute Of Health Sciences
Evaluation of histone deacetylase inhibitors (HDACi) as therapeutic leads for human African trypanosomiasis (HAT).EBI
Bioorg Med Chem 23: 5151-5 (2015)
St. Jude Children'S Research Hospital
Potent acetylcholinesterase inhibitors: design, synthesis, biological evaluation, and docking study of acridone linked to 1,2,3-triazole derivatives.EBI
Eur J Med Chem 92: 799-806 (2015)
Tehran University Of Medical Sciences
Structure-guided design of a high affinity inhibitor to human CtBP.BDB
ACS Chem Biol 10: 1118-27 (2015)
University Of Massachusetts Medical School
3,4-diaminobenzoic acid derivatives as inhibitors of the oxytocinase subfamily of M1 aminopeptidases with immune-regulating properties.EBI
J Med Chem 58: 1524-43 (2015)
National Center For Scientific Research&Quot;Demokritos&Quot
Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors.EBI
J Med Chem 58: 1964-75 (2015)
Indiana University
PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS.EBI
J Med Chem 58: 2091-113 (2015)
Mayo Clinic
Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents.EBI
J Med Chem 58: 1992-2002 (2015)
University Of Illinois At Chicago
Discovery and profiling of a selective and efficacious Syk inhibitor.EBI
J Med Chem 58: 1950-63 (2015)
Novartis Institutes For Biomedical Research
A facile and novel synthesis of N(2)-, C(6)-substituted pyrazolo[3,4-d]pyrimidine-4 carboxylate derivatives as adenosine receptor antagonists.EBI
Eur J Med Chem 92: 784-98 (2015)
National University Of Singapore
Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.EBI
Bioorg Med Chem Lett 25: 1117-23 (2015)
Mcgill University
Target engagement in lead generation.EBI
Bioorg Med Chem Lett 25: 998-1008 (2015)
Eli Lilly
Discovery of (R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate (TD-5959, GSK961081, batefenterol): first-in-class dual pharmacology multivalent muscarinic antagonist..EBI
J Med Chem 58: 2609-22 (2015)
Theravance Biopharma
Synthesis of xanthohumol analogues and discovery of potent thioredoxin reductase inhibitor as potential anticancer agent.EBI
J Med Chem 58: 1795-805 (2015)
Lanzhou University
Structure-activity relationship of pyrrolyl diketo acid derivatives as dual inhibitors of HIV-1 integrase and reverse transcriptase ribonuclease H domain.EBI
J Med Chem 58: 1915-28 (2015)
Universit£
Novel arylalkenylpropargylamines as neuroprotective, potent, and selective monoamine oxidase B inhibitors for the treatment of Parkinson's disease.EBI
J Med Chem 58: 1400-19 (2015)
A* Star
Novel Diketopiperazine Dihydroorotate Dehydrogenase Inhibitors Purified from Traditional Tibetan Animal Medicine Osteon Myospalacem Baileyi.BDB
Chem Biol Drug Des 86: 626-36 (2015)
Chinese Academy Of Sciences
Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 3: optimization of [1,2,4]triazolo[1,5-a]pyrimidine core via structure-based and physicochemical property-driven approaches.EBI
Eur J Med Chem 92: 754-65 (2015)
Shandong University
Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.EBI
J Med Chem 58: 1760-75 (2015)
Shionogi Pharmaceutical Research Center
Overcoming mutagenicity and ion channel activity: optimization of selective spleen tyrosine kinase inhibitors.EBI
J Med Chem 58: 1929-39 (2015)
Merck
Progress in Discovery of KIF5B-RET Kinase Inhibitors for the Treatment of Non-Small-Cell Lung Cancer.EBI
J Med Chem 58: 3672-81 (2015)
Daegu-Gyeongbuk Medical Innovation Foundation (Dgmif)
Synthesis, biological evaluation and molecular docking study of novel piperidine and piperazine derivatives as multi-targeted agents to treat Alzheimer's disease.EBI
Bioorg Med Chem 23: 1135-48 (2015)
University Of Delhi
Development of multifunctional, heterodimeric isoindoline-1,3-dione derivatives as cholinesterase and▀-amyloid aggregation inhibitors with neuroprotective properties.EBI
Eur J Med Chem 92: 738-49 (2015)
Jagiellonian University Medical College
Bis-aryl urea derivatives as potent and selective LIM kinase (Limk) inhibitors.EBI
J Med Chem 58: 1846-61 (2015)
Translational Research Institute
Design and Biological Evaluation of Furan/Pyrrole/Thiophene-2-carboxamide Derivatives as Efficient DNA GyraseB Inhibitors of Staphylococcus aureus.BDB
Chem Biol Drug Des 86: 918-25 (2015)
Birla Institute Of Technology
Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism.EBI
Bioorg Med Chem Lett 25: 758-62 (2015)
Cardiff University
Tampering with cell division by using small-molecule inhibitors of CDK-CKS protein interactions.BDB
Chembiochem 16: 432-9 (2015)
Universit?? Pierre Et Marie Curie
Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors.EBI
Bioorg Med Chem 23: 735-41 (2015)
Beijing University Of Technology
Interaction of human organic anion transporter polypeptides 1B1 andá1B3 with antineoplastic compounds.EBI
Eur J Med Chem 92: 723-31 (2015)
Universit£Tsmedizin G£Ttingen
Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.EBI
Bioorg Med Chem Lett 25: 775-80 (2015)
Amgen
Specificity and inhibitory mechanism of andrographolide and its analogues as antiasthma agents on NF-┐B p50.EBI
J Nat Prod 78: 208-17 (2015)
National University Of Singapore
Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease.EBI
Bioorg Med Chem 23: 668-80 (2015)
Sichuan University
Discovery of phenoxybutanoic acid derivatives as potent endothelin antagonists with antihypertensive activity.EBI
Bioorg Med Chem 23: 657-67 (2015)
Southeast University
Novel, potent, orally bioavailable and selective mycobacterial ATP synthase inhibitors that demonstrated activity against both replicating and non-replicating M. tuberculosis.EBI
Bioorg Med Chem 23: 742-52 (2015)
Csir-Central Drug Research Institute
Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious▀-secretase inhibitors for the potential treatment of Alzheimer's disease.EBI
Bioorg Med Chem Lett 25: 767-74 (2015)
Amgen
Discovery of diazepane amide DORAs and 2-SORAs enabled by exploration of isosteric quinazoline replacements.EBI
Bioorg Med Chem Lett 25: 4992-9 (2015)
Merck Research Laboratories
Quinofuracins A-E, produced by the fungus Staphylotrichum boninense PF1444, show p53-dependent growth suppression.EBI
J Nat Prod 78: 188-95 (2015)
Institute Of Microbial Chemistry (Bikaken)
Structural investigation of B-Raf paradox breaker and inducer inhibitors.EBI
J Med Chem 58: 1818-31 (2015)
Umr Cnrs-Universit£
Design, synthesis, and structure-activity relationship of novel LSD1 inhibitors based on pyrimidine-thiourea hybrids as potent, orally active antitumor agents.EBI
J Med Chem 58: 1705-16 (2015)
Zhengzhou University
Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.EBI
J Med Chem 58: 1976-91 (2015)
Array Biopharma
Synthesis and pharmacological evaluation of benzannulated derivatives as potent and selective sigma-1 protein ligands.EBI
Eur J Med Chem 92: 575-82 (2015)
University Of Lille
Design and synthesis of potent and multifunctional aldose reductase inhibitors based on quinoxalinones.EBI
J Med Chem 58: 1254-67 (2015)
Birla Institute Of Technology
Cell-permeable inhibitors of neuronal nitric oxide synthase open new prospects for the treatment of neurological disorders.EBI
J Med Chem 58: 1064-6 (2015)
Vibrant Pharma
Novel 5-substituted pyrrolo[2,3-d]pyrimidines as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase and as potential antitumor agents.EBI
J Med Chem 58: 1479-93 (2015)
Duquesne University
Selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3 that impairs cancer cell survival.BDB
ACS Chem Biol 10: 925-32 (2015)
University Of California Berkeley
Reversible and irreversible small molecule inhibitors of monoamine oxidase B (MAO-B) investigated by biophysical techniques.EBI
Bioorg Med Chem 23: 770-8 (2015)
Dart Neuroscience
Absolute structures and bioactivities of euryspongins and eurydiene obtained from the marine sponge Euryspongia sp. collected at Iriomote Island.EBI
Bioorg Med Chem 23: 797-802 (2015)
Tohoku Pharmaceutical University
Synthesis, radiolabeling and evaluation of novel 4-oxo-quinoline derivatives as PET tracers for imaging cannabinoid type 2 receptor.EBI
Eur J Med Chem 92: 554-64 (2015)
Institute Of Pharmaceutical Sciences
Probes for narcotic receptor mediated phenomena 49. N-substituted rac-cis-4a-arylalkyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ols.EBI
Eur J Med Chem 92: 531-9 (2015)
National Institute On Drug Abuse
Optimisation of in silico derived 2-aminobenzimidazole hits as unprecedented selective kappa opioid receptor agonists.EBI
Bioorg Med Chem Lett 25: 887-92 (2015)
Dr. Reddy'S Laboratories
Thiol-derivatized minihepcidins retain biological activity.EBI
Bioorg Med Chem Lett 25: 763-6 (2015)
University Of California Los Angeles
Multi-parameter optimization of aza-follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 2: Impact of lipophilicity on promiscuity and in vivo toxicity.EBI
Bioorg Med Chem Lett 25: 1140-5 (2015)
Boehringer Ingelheim (Canada)
Discovery of novel 2,5-dioxoimidazolidine-based P2X(7) receptor antagonists as constrained analogues of KN62.EBI
J Med Chem 58: 2114-34 (2015)
Gwangju Institute Of Science And Technology (Gist)
Flavokawains B and C, melanogenesis inhibitors, isolated from the root of Piper methysticum and synthesis of analogs.EBI
Bioorg Med Chem Lett 25: 799-802 (2015)
Sungkyunkwan University
6,6-Fused heterocyclic ureas as highly potent TRPV1 antagonists.EBI
Bioorg Med Chem Lett 25: 803-6 (2015)
Shenyang Pharmaceutical University
Synthesis and pharmacological evaluation of multifunctional tacrine derivatives against several disease pathways of AD.EBI
Bioorg Med Chem Lett 25: 807-10 (2015)
Universit£
Discovery of thienoimidazole-based HCV NS5A inhibitors. Part 2: non-symmetric inhibitors with potent activity against genotype 1a and 1b.EBI
Bioorg Med Chem Lett 25: 940-3 (2015)
Vertex Pharmaceuticals
The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.EBI
Bioorg Med Chem Lett 25: 834-40 (2015)
Amgen
Iminosugars as a new class of cholinesterase inhibitors.EBI
Bioorg Med Chem Lett 25: 830-3 (2015)
University Of Strasburg
Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors.EBI
Bioorg Med Chem 23: 810-20 (2015)
Sapienza University Of Rome
Discovery of novel Bruton's tyrosine kinase (BTK) inhibitors bearing a pyrrolo[2,3-d]pyrimidine scaffold.EBI
Bioorg Med Chem 23: 891-901 (2015)
China Pharmaceutical University
Discovery of 3H-imidazo[4,5-c]quinolin-4(5H)-ones as potent and selective dipeptidyl peptidase IV (DPP-4) inhibitors: use of a carboxylate prodrug to improve bioavailability.EBI
Bioorg Med Chem 23: 779-90 (2015)
Sumitomo Dainippon Pharma
Diaminopyrimidines, diaminopyridines and diaminopyridazines as histamine H4 receptor modulators.EBI
Bioorg Med Chem Lett 25: 956-9 (2015)
Janssen Research And Development
Two new protein tyrosine phosphatase 1B inhibitors, hyattellactones A and B, from the Indonesian marine sponge Hyattella sp.EBI
Bioorg Med Chem Lett 25: 904-7 (2015)
Tohoku Pharmaceutical University
Identification of novel aminothiazole and aminothiadiazole conjugated cyanopyridines as selective CHK1 inhibitors.EBI
Eur J Med Chem 92: 459-70 (2015)
Cairo University
Glycosylated enfuvirtide: a long-lasting glycopeptide with potent anti-HIV activity.EBI
J Med Chem 58: 1372-9 (2015)
Chinese Academy Of Sciences
Development of potent dopamine-norepinephrine uptake inhibitors (DNRIs) based on a (2S,4R,5R)-2-benzhydryl-5-((4-methoxybenzyl)amino)tetrahydro-2H-pyran-4-ol molecular template.EBI
Bioorg Med Chem 23: 821-8 (2015)
Wayne State University
Development of 1,3-diphenyladamantane derivatives as nonsteroidal progesterone receptor antagonists.EBI
Bioorg Med Chem 23: 803-9 (2015)
Tokyo Medical And Dental University
Potency enhancement of the┐-opioid receptor antagonist probe ML140 through sulfonamide constraint utilizing a tetrahydroisoquinoline motif.EBI
Bioorg Med Chem 23: 3948-56 (2015)
University Of Kansas Specialized Chemistry Center
Insights on the role of boron containing moieties in the design of new potent and efficient agonists targeting the▀2 adrenoceptor.EBI
Bioorg Med Chem Lett 25: 820-5 (2015)
Instituto Polit£Cnico Nacional (Ipn)
Pyridine and pyridinone-based factor XIa inhibitors.EBI
Bioorg Med Chem Lett 25: 925-30 (2015)
Bristol-Myers Squibb
Synthesis and in vitro characterization of cinnoline and benzimidazole analogues as phosphodiesterase 10A inhibitors.EBI
Bioorg Med Chem Lett 25: 919-24 (2015)
Washington University
Discovery and development of Galeterone (TOK-001 or VN/124-1) for the treatment of all stages of prostate cancer.EBI
J Med Chem 58: 2077-87 (2015)
University Of Maryland
Synthesis and bioevaluation of pyrazole-benzimidazolone hybrids as novel human 4-Hydroxyphenylpyruvate dioxygenase inhibitors.EBI
Eur J Med Chem 92: 427-38 (2015)
Central China Normal University
Proof of concept study for designed multiple ligands targeting the dopamine D2, serotonin 5-HT2A, and muscarinic M1 acetylcholine receptors.EBI
J Med Chem 58: 1550-5 (2015)
Monash University (Parkville Campus)
Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.BDB
ACS Chem Biol 10: 1072-81 (2015)
University Of North Carolina At Chapel Hill
Development of a series of aryl pyrimidine kynurenine monooxygenase inhibitors as potential therapeutic agents for the treatment of Huntington's disease.EBI
J Med Chem 58: 1159-83 (2015)
Evotec (Uk)
Hupehenols A-E, selective 11▀-hydroxysteroid dehydrogenase type 1 (11▀-HSD1) inhibitors from Viburnum hupehense.EBI
J Nat Prod 78: 330-4 (2015)
Chinese Academy Of Sciences
Synthesis and Structure-Activity Relationship Study of 5a-Carbasugar Analogues of SL0101.EBI
ACS Med Chem Lett 6: 95-9 (2015)
Northeastern University
Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization.EBI
ACS Med Chem Lett 6: 89-94 (2015)
Eisai
Discovery and Development of LX7101, a Dual LIM-Kinase and ROCK Inhibitor for the Treatment of Glaucoma.EBI
ACS Med Chem Lett 6: 84-8 (2015)
Lexicon Pharmaceuticals
Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases.EBI
ACS Med Chem Lett 6: 79-83 (2015)
University Of Zurich
Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors.EBI
ACS Med Chem Lett 6: 73-8 (2015)
Sanofi R & D
Unfolded Protein Response in Cancer: IRE1a Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.EBI
ACS Med Chem Lett 6: 68-72 (2015)
Amgen
Synthesis and Biological Evaluation of Pyrazolo[1,5-a]pyrimidine Compounds as Potent and Selective Pim-1 Inhibitors.EBI
ACS Med Chem Lett 6: 63-7 (2015)
Astex Pharmaceuticals
Pyrimidine-based tricyclic molecules as potent and orally efficacious inhibitors of wee1 kinase.EBI
ACS Med Chem Lett 6: 58-62 (2015)
Abbvie
Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation.EBI
ACS Med Chem Lett 6: 53-7 (2015)
Lexicon Pharmaceuticals
Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors.EBI
ACS Med Chem Lett 6: 42-6 (2015)
Novartis Institutes For Biomedical Research
Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.EBI
ACS Med Chem Lett 6: 37-41 (2015)
Novartis Institutes For Biomedical Research
Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.EBI
ACS Med Chem Lett 6: 31-6 (2015)
Astex Pharmaceuticals
Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase.EBI
ACS Med Chem Lett 6: 25-30 (2015)
Astex Pharmaceuticals
Novel Disubstituted Pyrimidines as Inhibitors of Bruton's Tyrosine Kinase.EBI
ACS Med Chem Lett 6: 23-4 (2015)
Dart Neuroscience
Pyrrolopyridines-quinazolines Inhibitors of PKR-Like ER Kinase.EBI
ACS Med Chem Lett 6: 21-2 (2015)
Dart Neuroscience
Novel azaindazole sulfonamides inhibitors of serum and glucocorticoid regulated kinase.EBI
ACS Med Chem Lett 6: 19-20 (2015)
Dart Neuroscience
P21-Activated Kinase 4 (PAK4) Inhibitors as Potential Cancer Therapy.EBI
ACS Med Chem Lett 6: 17-8 (2015)
Therachem Research Medilab (India)
Quinalozinones as Inhibitors of Class I PI3K Kinases.EBI
ACS Med Chem Lett 6: 15-6 (2015)
Dart Neuroscience
RET Kinase Inhibitors May Treat Cancer and Gastrointestinal Disorders.EBI
ACS Med Chem Lett 6: 13-4 (2015)
Therachem Research Medilab (India)
Dual leucine zipper kinase inhibitors: potential treatments for neurodegenerative diseases.EBI
ACS Med Chem Lett 6: 11-2 (2015)
Therachem Research Medilab (India)
Pyrrolopyrimidine Analogues as MKNK Inhibitors.EBI
ACS Med Chem Lett 6: 9-10 (2015)
Dart Neuroscience
Combination of novel imidazopyridazine mps-1 kinase inhibitors and bcl-2 family protein inhibitors.EBI
ACS Med Chem Lett 6: 7-8 (2015)
Dart Neuroscience
Class II but Not Second Class-Prospects for the Development of Class II PI3K Inhibitors.EBI
ACS Med Chem Lett 6: 3-6 (2015)
Monash University (Parkville Campus)
Sesquiterpenoid tropolone glycosides from Liriosma ovata.EBI
J Nat Prod 78: 315-9 (2015)
Food And Drug Administration
Discovery of 1H-pyrazol-3(2H)-ones as potent and selective inhibitors of protein kinase R-like endoplasmic reticulum kinase (PERK).EBI
J Med Chem 58: 1426-41 (2015)
Amgen
Pachymodulin, a new functional formyl peptide receptor 2 peptidic ligand isolated from frog skin has Janus-like immunomodulatory capacities.EBI
J Med Chem 58: 1089-99 (2015)
Sorbonne University
Synthesis of novel inhibitors ofa-glucosidase based on the benzothiazole skeleton containing benzohydrazide moiety and their molecular docking studies.EBI
Eur J Med Chem 92: 387-400 (2015)
Universiti Teknologi Mara (Uitm)
Further insights into the SAR of ?-substituted cyclopropylamine derivatives as inhibitors of histone demethylase KDM1A.EBI
Eur J Med Chem 92: 377-86 (2015)
University Of Parma
Discovery of potent heterodimeric antagonists of inhibitor of apoptosis proteins (IAPs) with sustained antitumor activity.EBI
J Med Chem 58: 1556-62 (2015)
Bristol-Myers Squibb Research
Anthranilic acid derivatives as nuclear receptor modulators--development of novel PPAR selective and dual PPAR/FXR ligands.EBI
Bioorg Med Chem 23: 499-514 (2015)
Goethe-University Frankfurt
Synthesis and pharmacological evaluation of N-benzyl substituted 4-bromo-2,5-dimethoxyphenethylamines as 5-HT2A/2C partial agonists.EBI
Bioorg Med Chem 23: 3933-7 (2015)
University Of Copenhagen
Discovery of indole-derived pyridopyrazine-1,6-dione┐-secretase modulators that target presenilin.EBI
Bioorg Med Chem Lett 25: 908-13 (2015)
Pfizer
Development of novel Asf1-H3/H4 inhibitors.EBI
Bioorg Med Chem Lett 25: 963-8 (2015)
Colorado State University
The Synthesis and Evaluation of C7-Substituted a-Tetralone Derivatives as Inhibitors of Monoamine Oxidase.BDB
Chem Biol Drug Des 86: 895-904 (2015)
North-West University
Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site.EBI
J Med Chem 58: 1494-501 (2015)
Griffith University
Discovery of small molecule inhibitors to KrŘppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation.EBI
J Med Chem 58: 1466-78 (2015)
Beth Israel Deaconess Medical Center
Design, synthesis, X-ray crystallographic analysis, and biological evaluation of thiazole derivatives as potent and selective inhibitors of human dihydroorotate dehydrogenase.EBI
J Med Chem 58: 1123-39 (2015)
East China University Of Science And Techology
3,5-Diamino-1,2,4-triazoles as a novel scaffold for potent, reversible LSD1 (KDM1A) inhibitors.EBI
Medchemcomm 5: 1863-1870 (2014)
Medical University Of South Carolina
Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b potency.EBI
Bioorg Med Chem Lett 25: 944-7 (2015)
Vertex Pharmaceuticals
Discovery of piperidine ethers as selective orexin receptor antagonists (SORAs) inspired by filorexant.EBI
Bioorg Med Chem Lett 25: 444-50 (2015)
Merck Research Laboratories
Antileishmanial activity of quinazoline derivatives: synthesis, docking screens, molecular dynamic simulations and electrochemical studies.EBI
Eur J Med Chem 92: 314-31 (2015)
Universidad Nacional Aut£Noma De M£Xico
SAR-studies of┐-secretase modulators with PPAR┐-agonistic and 5-lipoxygenase-inhibitory activity for Alzheimer's disease.EBI
Bioorg Med Chem Lett 25: 841-6 (2015)
Goethe-University Frankfurt
Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model.EBI
Bioorg Med Chem Lett 25: 587-92 (2015)
Boehringer Ingelheim Pharmaceuticals
Structure-based design of low-nanomolar PIM kinase inhibitors.EBI
Bioorg Med Chem Lett 25: 474-80 (2015)
Biogen Idec
Structure-based design and optimization of potent inhibitors of the adenoviral protease.EBI
Bioorg Med Chem Lett 25: 438-43 (2015)
Novartis Institute For Biomedical Research
A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases.EBI
J Med Chem 58: 1563-8 (2015)
St. Jude Children'S Research Hospital
Identification of the minimum peptide from mouse myostatin prodomain for human myostatin inhibition.EBI
J Med Chem 58: 1544-9 (2015)
Tokyo University Of Pharmacy And Life Sciences
Small molecule discoidin domain receptor kinase inhibitors and potential medical applications.EBI
J Med Chem 58: 3287-301 (2015)
Chinese Academy Of Sciences
Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases.EBI
J Med Chem 58: 1358-71 (2015)
Roche Pharmaceutical Research And Early Development
Fluoro-substituted phenylazocarboxamides: Dopaminergic behavior and N-arylating properties for irreversible binding.EBI
Bioorg Med Chem 23: 3938-47 (2015)
Friedrich-Alexander-Universit£T Erlangen-N£Rnberg
Hydroxamic acid based histone deacetylase inhibitors with confirmed activity against the malaria parasite.EBI
Bioorg Med Chem Lett 25: 459-61 (2015)
R&D Sigma-Tau Industrie Farmaceutiche Riunite
Methoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: in silico, in vitro, and in vivo studies.EBI
J Nat Prod 78: 69-76 (2015)
National Research Council
Insulin-mimetic selaginellins from Selaginella tamariscina with protein tyrosine phosphatase 1B (PTP1B) inhibitory activity.EBI
J Nat Prod 78: 34-42 (2015)
Catholic University Of Daegu
Design, synthesis and evaluation of isoxazolo[5,4-d]pyrimidin-4(5H)-one derivatives as antithrombotic agents.EBI
Bioorg Med Chem Lett 25: 492-5 (2015)
Southeast University
Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization.EBI
J Med Chem 58: 1281-97 (2015)
Shanghai Institute Of Materia Medica
Design, synthesis, and biological evaluation of tetrazole analogs of Cl-amidine as protein arginine deiminase inhibitors.EBI
J Med Chem 58: 1337-44 (2015)
University Of Massachusetts Medical School
Highly selective salicylketoxime-based estrogen receptor▀ agonists display antiproliferative activities in a glioma model.EBI
J Med Chem 58: 1184-94 (2015)
Universit£
Synthesis and biological evaluations of novel endomorphin analogues containinga-hydroxy-▀-phenylalanine (AHPBA) displaying mixedÁ/d opioid receptor agonist andd opioid receptor antagonist activities.EBI
Eur J Med Chem 92: 270-81 (2015)
Zhejiang University
Cyclopentyl-pyrimidine based analogues as novel and potent IGF-1R inhibitor.EBI
Eur J Med Chem 92: 246-56 (2015)
Piramal Enterprises
Exploration of cyanine compounds as selective inhibitors of protein arginine methyltransferases: synthesis and biological evaluation.EBI
J Med Chem 58: 1228-43 (2015)
The University Of Georgia
Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule?EBI
Eur J Med Chem 90: 897-915 (2015)
The State University Of New York
Original 2-(3-alkoxy-1H-pyrazol-1-yl)pyrimidine derivatives as inhibitors of human dihydroorotate dehydrogenase (DHODH).EBI
J Med Chem 58: 860-77 (2015)
Institut Pasteur
Acyl protein thioesterase inhibitors as probes of dynamic S-palmitoylation.EBI
Medchemcomm 5: 268-276 (2014)
University Of Michigan
Novel 5-HT6 receptor antagonists/D2 receptor partial agonists targeting behavioral and psychological symptoms of dementia.EBI
Eur J Med Chem 92: 221-35 (2015)
Jagiellonian University Collegium Medicum
Identification of indole-3-carboxylic acids as non-ATP-competitive Polo-like kinase 1 (Plk1) inhibitors.EBI
Bioorg Med Chem Lett 25: 431-4 (2015)
China Pharmaceutical University
Selective CB2 receptor agonists. Part 1: the identification of novel ligands through computer-aided drug design (CADD) approaches.EBI
Bioorg Med Chem Lett 25: 575-80 (2015)
Boehringer Ingelheim Pharmaceuticals
Synthesis, pharmacological evaluation and molecular modeling studies of triazole containing dopamine D3 receptor ligands.EBI
Bioorg Med Chem Lett 25: 519-23 (2015)
Washington University
A selective small molecule NOP (ORL-1 receptor) partial agonist for the treatment of anxiety.EBI
Bioorg Med Chem Lett 25: 602-6 (2015)
West Chester University
Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based compounds.EBI
Bioorg Med Chem Lett 25: 581-6 (2015)
Boehringer Ingelheim Pharma
Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.EBI
Bioorg Med Chem Lett 25: 529-41 (2015)
Genentech
Synthesis and biological evaluation of isoindoloisoquinolinone, pyroloisoquinolinone and benzoquinazolinone derivatives as poly(ADP-ribose) polymerase-1 inhibitors.EBI
Bioorg Med Chem 23: 488-98 (2015)
Pondicherry University
Discovery of triazolone derivatives as novel, potent stearoyl-CoA desaturase-1 (SCD1) inhibitors.EBI
Bioorg Med Chem 23: 455-65 (2015)
Xenon Pharmaceuticals
Towards novel 5-HT7versus 5-HT1A receptor ligands among LCAPs with cyclic amino acid amide fragments: design, synthesis, and antidepressant properties. Part II.EBI
Eur J Med Chem 92: 202-11 (2015)
Jagiellonian University Medical College
Structural exploration, synthesis and pharmacological evaluation of novel 5-benzylidenethiazolidine-2,4-dione derivatives as iNOS inhibitors against inflammatory diseases.EBI
Eur J Med Chem 92: 178-90 (2015)
Sichuan University
Novel pyrazole-5-carboxamide and pyrazole-pyrimidine derivatives: synthesis and anticancer activity.EBI
Eur J Med Chem 90: 889-96 (2015)
Anhui Medical University
Structure-activity relationship studies of SETD8 inhibitors.EBI
Medchemcomm 5: 1892-1898 (2014)
Icahn School Of Medicine At Mount Sinai
1,3,4-Thiadiazoles: a potent multi targeted pharmacological scaffold.EBI
Eur J Med Chem 92: 156-77 (2015)
University Of Mississippi
Novel 3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]propanamides as selective agonists of human formyl-peptide receptor 2.EBI
Bioorg Med Chem 23: 3913-24 (2015)
Universit£
Functionalized tetrahydro-1H-pyrido[4,3-b]indoles: a novel chemotype with Sirtuin 2 inhibitory activity.EBI
Eur J Med Chem 92: 145-55 (2015)
National University Of Singapore
Synthesis and molecular modelling studies of 8-arylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amines as multitarget Ser/Thr kinases inhibitors.EBI
Eur J Med Chem 92: 124-34 (2015)
Cobra
Structure-based design of phthalimide derivatives as potential cyclooxygenase-2 (COX-2) inhibitors: anti-inflammatory and analgesic activities.EBI
Eur J Med Chem 92: 115-23 (2015)
King Saud University
Identification and optimization of Escherichia coli GlmU inhibitors: an in silico approach with validation thereof.EBI
Eur J Med Chem 92: 78-90 (2015)
Csir-Indian Institute Of Integrative Medicine
Synthesis and biological evaluation of compact, conformationally constrained bifunctional opioid agonist - neurokinin-1 antagonist peptidomimetics.EBI
Eur J Med Chem 92: 64-77 (2015)
Vrije Universiteit Brussel
Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-▀-amyloid (A▀) aggregation and metal chelation properties against Alzheimer's disease.EBI
Bioorg Med Chem Lett 25: 508-13 (2015)
China Pharmaceutical University
Further optimization of the M5 NAM MLPCN probe ML375: tactics and challenges.EBI
Bioorg Med Chem Lett 25: 690-4 (2015)
Vanderbilt University Medical Center
Design and synthesis of novel 2-pyrazoline-1-ethanone derivatives as selective MAO inhibitors.EBI
Bioorg Med Chem 23: 515-25 (2015)
Anhui Medical University
Identification and further development of potent TBK1 inhibitors.BDB
ACS Chem Biol 10: 289-98 (2015)
Technical University Of Dortmund
Synthesis and biological evaluation of DAPY-DPEs hybrids as non-nucleoside inhibitors of HIV-1 reverse transcriptase.EBI
Bioorg Med Chem 23: 624-31 (2015)
Fudan University
Discovery and SAR study of c-Met kinase inhibitors bearing an 3-amino-benzo[d]isoxazole or 3-aminoindazole scaffold.EBI
Bioorg Med Chem 23: 564-78 (2015)
China Pharmaceutical University
Structure-based design, synthesis and biological evaluation of novel▀-secretase inhibitors containing a pyrazole or thiazole moiety as the P3 ligand.EBI
Bioorg Med Chem Lett 25: 668-72 (2015)
Purdue University
Sulfonamides as multifunctional agents for Alzheimer's disease.EBI
Bioorg Med Chem Lett 25: 626-30 (2015)
University Of Massachusetts Boston
Detecting a quasi-stable imine species on the reaction pathway of SHV-1 ▀-lactamase and 6▀-(hydroxymethyl)penicillanic acid sulfone.BDB
Biochemistry 54: 734-43 (2015)
Case Western Reserve University
Sulfonamide inhibition studies of the┐-class carbonic anhydrase from the malaria pathogen Plasmodium falciparum.EBI
Bioorg Med Chem 23: 526-31 (2015)
Universit£
Potent and selective MAO-B inhibitory activity: amino- versus nitro-3-arylcoumarin derivatives.EBI
Bioorg Med Chem Lett 25: 642-8 (2015)
Universidad De Santiago De Compostela
Design and synthesis of new tricyclic indoles as potent modulators of the S1P1 receptor.EBI
Bioorg Med Chem Lett 25: 659-63 (2015)
Arena Pharmaceuticals
Prenyltransferase Inhibitors: Treating Human Ailments from Cancer to Parasitic Infections.EBI
Medchemcomm 4: 476-492 (2013)
University Of Minnesota
Discovery of potent 1H-imidazo[4,5-b]pyridine-based c-Met kinase inhibitors via mechanism-directed structural optimization.EBI
Bioorg Med Chem Lett 25: 708-16 (2015)
Soochow University
Discovery and SAR study of 2-(4-pyridylamino)thieno[3,2-d]pyrimidin-4(3H)-ones as soluble and highly potent PDE7 inhibitors.EBI
Bioorg Med Chem Lett 25: 649-53 (2015)
Kyoto 607-8042
5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.EBI
Bioorg Med Chem Lett 25: 593-6 (2015)
Osaka Prefecture University
Microwave-assisted synthesis and biological evaluation of 3,4-diaryl maleic anhydride/N-substituted maleimide derivatives as combretastatin A-4 analogues.EBI
Bioorg Med Chem Lett 25: 631-4 (2015)
Shenyang Pharmaceutical University
Synthesis and evaluation of C2-carbon-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides as HIV-1 integrase inhibitors.EBI
Bioorg Med Chem Lett 25: 717-20 (2015)
Bristol-Myers Squibb Research And Development
Synthesis and biological evaluation of picolinamides as potent inhibitors of 11▀-hydroxysteroid dehydrogenase type 1 (11▀-HSD1).EBI
Bioorg Med Chem Lett 25: 695-700 (2015)
Seoul National University
Triazinoindole analogs as potent inhibitors of a-glucosidase: synthesis, biological evaluation and molecular docking studies.BDB
Bioorg Chem 58: 81-7 (2015)
Hazara University
Improving selectivity preserving affinity: new piperidine-4-carboxamide derivatives as effective sigma-1-ligands.EBI
Eur J Med Chem 90: 797-808 (2015)
University Of Trieste
Heteroatom insertion into 3,4-dihydro-1H-quinolin-2-ones leads to potent and selective inhibitors of human and rat aldosterone synthase.EBI
Eur J Med Chem 90: 788-96 (2015)
Saarland University
Identification of potent orally active factor Xa inhibitors based on conjugation strategy and application of predictable fragment recommender system.EBI
Bioorg Med Chem 23: 277-89 (2015)
Astellas Pharma
Design, synthesis, biochemical, and antiviral evaluations of C6 benzyl and C6 biarylmethyl substituted 2-hydroxylisoquinoline-1,3-diones: dual inhibition against HIV reverse transcriptase-associated RNase H and polymerase with antiviral activities.EBI
J Med Chem 58: 651-64 (2015)
University Of Minnesota
Structure-based design of bacterial nitric oxide synthase inhibitors.EBI
J Med Chem 58: 994-1004 (2015)
University Of California
Synthesis and biological evaluation of 2-aryliminopyrrolidines as selective ligands for I1 imidazoline receptors: discovery of new sympatho-inhibitory hypotensive agents with potential beneficial effects in metabolic syndrome.EBI
J Med Chem 58: 878-87 (2015)
Universit£
Total synthesis of clavatadine A.EBI
J Nat Prod 78: 120-4 (2015)
Central Washington University
(7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists.EBI
ACS Med Chem Lett 5: 1334-9 (2014)
Arena Pharmaceuticals
Crystal Structure of Sphingosine Kinase 1 with PF-543.EBI
ACS Med Chem Lett 5: 1329-33 (2014)
University Of Oxford
Optimization of drug-like properties of nonsteroidal glucocorticoid mimetics and identification of a clinical candidate.EBI
ACS Med Chem Lett 5: 1318-23 (2014)
Boehringer Ingelheim Pharmaceuticals
Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.EBI
ACS Med Chem Lett 5: 1313-7 (2014)
Arena Pharmaceuticals
Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).EBI
ACS Med Chem Lett 5: 1308-12 (2014)
Institute
C5-Alkyl-2-methylurea-Substituted Pyridines as a New Class of Glucokinase Activators.EBI
ACS Med Chem Lett 5: 1284-9 (2014)
Amgen
Exploration and pharmacokinetic profiling of phenylalanine based carbamates as novel substance p 1-7 analogues.EBI
ACS Med Chem Lett 5: 1272-7 (2014)
Uppsala University
Inhibition of O-GlcNAcase (OGA): A Potential Therapeutic Target to Treat Alzheimer's Disease.EBI
ACS Med Chem Lett 5: 1270-1 (2014)
Therachem Research Medilab (India)
GnRH antagonists: the promise of treating sex-hormone-related diseases.EBI
ACS Med Chem Lett 5: 1268-9 (2014)
Therachem Research Medilab (India)
Design, synthesis and evaluation of novel 5-phenylpyridin-2(1H)-one derivatives as potent reversible Bruton's tyrosine kinase inhibitors.EBI
Bioorg Med Chem 23: 348-64 (2015)
China Pharmaceutical University
Design, synthesis and structure-activity relationship studies of novel sirtuin 2 (SIRT2) inhibitors with a benzamide skeleton.EBI
Bioorg Med Chem 23: 328-39 (2015)
The University Of Tokyo
Discovery of (R)-8-(1-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide (AZD8186): a potent and selective inhibitor of PI3K▀ and PI3Kd for the treatment of PTEN-deficient cancers.EBI
J Med Chem 58: 943-62 (2015)
Astrazeneca
Novel fluoroalkyl derivatives of selective kappa opioid receptor antagonist JDTic: Design, synthesis, pharmacology and molecular modeling studies.EBI
Eur J Med Chem 90: 742-50 (2015)
Universit£
Repositioning proton pump inhibitors as anticancer drugs by targeting the thioesterase domain of human fatty acid synthase.EBI
J Med Chem 58: 778-84 (2015)
Indiana University School Of Medicine
Design, Synthesis, and Biological Evaluation of Novel Benzoyl Diarylamine/ether Derivatives as Potential Anti-HIV-1 Agents.BDB
Chem Biol Drug Des 86: 333-43 (2015)
Shandong University
Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones.BDB
Bioorg Chem 58: 72-80 (2015)
Birla Institute Of Technology
Diversity-Oriented Synthesis for Novel, Selective and Drug-like Inhibitors for a Phosphatase from Mycobacterium Tuberculosis.EBI
Medchemcomm 5: 1496-1499 (2014)
Indiana University School Of Medicine
Synthesis and structure-activity relationships of pyridinyl-1H-1,2,3-triazolyldihydroisoxazoles as potent inhibitors of tubulin polymerization.EBI
Eur J Med Chem 90: 603-19 (2015)
Csir-Indian Institute Of Chemical Technology
Novel heterocyclic scaffolds of GW4064 as farnesoid X receptor agonists.EBI
Bioorg Med Chem Lett 25: 280-4 (2014)
Glaxosmithkline
Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome.EBI
Bioorg Med Chem Lett 25: 236-40 (2014)
Raqualia Pharma
Identification of N-{[6-chloro-4-(2,6-dimethoxyphenyl)quinazolin-2-yl]carbonyl}-l-leucine (NTRC-808), a novel nonpeptide chemotype selective for the neurotensin receptor type 2.EBI
Bioorg Med Chem Lett 25: 292-6 (2014)
Research Triangle Institute
Investigating the binding interactions of the anti-Alzheimer's drug donepezil with CYP3A4 and P-glycoprotein.EBI
Bioorg Med Chem Lett 25: 297-301 (2014)
University Of Waterloo
Synthesis and biological evaluation of novel chiral diazepine derivatives as bombesin receptor subtype-3 (BRS-3) agonists incorporating an antedrug approach.EBI
Bioorg Med Chem 23: 89-104 (2014)
Daiichi Sankyo
Bioactive constituents from the green alga Caulerpa racemosa.EBI
Bioorg Med Chem 23: 38-45 (2014)
Nanchang University
1,2,4-triazolo[1,5-a]quinoxaline derivatives and their simplified analogues as adenosine A3 receptor antagonists. Synthesis, structure-affinity relationships and molecular modeling studies.EBI
Bioorg Med Chem 23: 9-21 (2014)
Universit£
Rodent selectivity of piperidine-4-yl-1H-indoles, a series of CC chemokine receptor-3 (CCR3) antagonists: insights from a receptor model.EBI
Bioorg Med Chem Lett 25: 229-35 (2014)
Boehringer Ingelheim Pharma
Design, synthesis and biological evaluation of a class of bioisosteric oximes of the novel dual peroxisome proliferator-activated receptora/┐ ligand LT175.EBI
Eur J Med Chem 90: 583-94 (2015)
Universit£
Synthesis, structural characterization and effect on human granulocyte intracellular cAMP levels of abscisic acid analogs.EBI
Bioorg Med Chem 23: 22-32 (2014)
University Of Genoa
Design of chemically stable, potent, and efficacious MDM2 inhibitors that exploit the retro-mannich ring-opening-cyclization reaction mechanism in spiro-oxindoles.EBI
J Med Chem 57: 10486-98 (2014)
University Of Michigan Comprehensive Cancer Center And Departments Of Internal Medicine
(▒)-Torreyunlignans A-D, rare 8-9' linked neolignan enantiomers as phosphodiesterase-9A inhibitors from Torreya yunnanensis.EBI
J Nat Prod 77: 2651-7 (2014)
Sun Yat-Sen University
Identification of a novel orally bioavailable phosphodiesterase 10A (PDE10A) inhibitor with efficacy in animal models of schizophrenia.EBI
J Med Chem 58: 978-93 (2015)
Janssen Pharmaceutica
CNS drug design: balancing physicochemical properties for optimal brain exposure.EBI
J Med Chem 58: 2584-608 (2015)
Eli Lilly
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their prodrugs as antimalarial agents.EBI
J Med Chem 58: 827-46 (2015)
The University Of Queensland
New compstatin peptides containing N-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics.EBI
J Med Chem 58: 814-26 (2015)
University Of California
Biological evaluation and structural insights for design of subtype-selective peroxisome proliferator activated receptor-a (PPAR-a) agonists.EBI
Bioorg Med Chem Lett 25: 270-5 (2014)
National Institute Of Pharmaceutical Education And Research (Niper)
a2-adrenoceptor antagonists: synthesis, pharmacological evaluation, and molecular modeling investigation of pyridinoguanidine, pyridino-2-aminoimidazoline and their derivatives.EBI
J Med Chem 58: 963-77 (2015)
Trinity College
Synthesis and pharmacological evaluation of dual acting ligands targeting the adenosine A2A and dopamine D2 receptors for the potential treatment of Parkinson's disease.EBI
J Med Chem 58: 718-38 (2015)
Monash University (Parkville Campus)
Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase.EBI
J Med Chem 58: 1067-88 (2015)
Northwestern University
Radiosynthesis and ex vivo evaluation of [(18)F]-(S)-3-(6-(3-fluoropropoxy)benzo[d]isoxazol-3-yl)-5-(methoxymethyl)oxazolidin-2-one for imaging MAO-B with PET.EBI
Bioorg Med Chem Lett 25: 288-91 (2014)
University Of Toronto
Discovery of 1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalen-4-carboxamides as potent and selective CB2 receptor agonists.EBI
Bioorg Med Chem Lett 25: 322-6 (2014)
Arena Pharmaceuticals
Synthesis and biological activity of 5-(4-methoxyphenyl)-oxazole derivatives.EBI
Bioorg Med Chem Lett 25: 313-6 (2014)
Kitasato University
Ligand-based virtual screening identifies a family of selective cannabinoid receptor 2 agonists.EBI
Bioorg Med Chem 23: 241-63 (2014)
University Of Oxford
Structure guided lead generation for M. tuberculosis thymidylate kinase (Mtb TMK): discovery of 3-cyanopyridone and 1,6-naphthyridin-2-one as potent inhibitors.EBI
J Med Chem 58: 753-66 (2015)
Astrazeneca
Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands.EBI
Eur J Med Chem 90: 526-36 (2015)
Universit£
Synthesis and biological evaluation of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists.EBI
Bioorg Med Chem 23: 132-40 (2014)
China Pharmaceutical University
Enantioselective induction of SIRT1 gene by syringaresinol from Panax ginseng berry and Acanthopanax senticosus Harms stem.EBI
Bioorg Med Chem Lett 25: 307-9 (2014)
Yonsei University
Recent advances in the discovery of small molecule inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4) as a therapeutic target for inflammation and oncology disorders.EBI
J Med Chem 58: 96-110 (2015)
Nimbus Discovery
Rational design of partial agonists for the muscarinic m1 acetylcholine receptor.EBI
J Med Chem 58: 560-76 (2015)
University Of W£Rzburg
Tetra-substituted pyridinylimidazoles as dual inhibitors of p38a mitogen-activated protein kinase and c-Jun N-terminal kinase 3 for potential treatment of neurodegenerative diseases.EBI
J Med Chem 58: 443-56 (2015)
Eberhard Karls Universit£T T£Bingen
Discovery of 2-(cyclohexylmethylamino)pyrimidines as a new class of reversible valosine containing protein inhibitors.EBI
J Med Chem 57: 10443-54 (2014)
Nerviano Medical Sciences
Synthesis, in vitro evaluation and cocrystal structure of 4-oxo-[1]benzopyrano[4,3-c]pyrazole Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase (CpIMPDH) inhibitors.EBI
J Med Chem 57: 10544-50 (2014)
University Of Houston
Nintedanib: from discovery to the clinic.EBI
J Med Chem 58: 1053-63 (2015)
Boehringer Ingelheim Pharma
Peptide inhibitors of the Escherichia coli DsbA oxidative machinery essential for bacterial virulence.EBI
J Med Chem 58: 577-87 (2015)
University Of Queensland
Probing the carboxyester side chain in controlled deactivation (-)-d(8)-tetrahydrocannabinols.EBI
J Med Chem 58: 665-81 (2015)
Northeastern University
Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma.EBI
J Med Chem 58: 347-61 (2015)
Universit£
Identification of novel 4-anilinoquinazoline derivatives as potent EGFR inhibitors both under normoxia and hypoxia.EBI
Bioorg Med Chem 22: 6796-805 (2015)
TBA
Inhibition studies of new ureido-substituted sulfonamides incorporating a GABA moiety against human carbonic anhydrase isoforms I-XIV.EBI
Bioorg Med Chem 22: 6768-75 (2015)
TBA
Design, synthesis, anticancer activity and docking studies of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as mTOR inhibitors.EBI
Bioorg Med Chem 22: 6746-54 (2015)
TBA
Synthesis and evaluation of N-acyl-substituted 1,2-benzisothiazol-3-one derivatives as caspase-3 inhibitors.EBI
Bioorg Med Chem 22: 6735-45 (2015)
TBA
Ether modifications to 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine (SA4503): effects on binding affinity and selectivity for sigma receptors and monoamine transporters.EBI
Bioorg Med Chem 23: 222-30 (2014)
University Of Missouri
Synthesis and biological evaluation of pyridinone analogues as novel potent HIV-1 NNRTIs.EBI
Bioorg Med Chem 23: 149-59 (2014)
Peking University
Synthesis of aminoalkyl-substituted aurone derivatives as acetylcholinesterase inhibitors.EBI
Bioorg Med Chem 23: 231-40 (2014)
Kyung Hee University
Inhibition of FAAH, TRPV1, and COX2 by NSAID-serotonin conjugates.EBI
Bioorg Med Chem Lett 24: 5695-8 (2014)
Roseman University Of Health Sciences
Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.EBI
Bioorg Med Chem Lett 24: 5683-7 (2014)
Genentech
Novel benzothiazinones (BTOs) as allosteric modulator or substrate competitive inhibitor of glycogen synthase kinase 3▀ (GSK-3▀) with cellular activity of promoting glucose uptake.EBI
Bioorg Med Chem Lett 24: 5639-43 (2014)
Fudan University
Finding the perfect spot for fluorine: improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.EBI
Bioorg Med Chem Lett 25: 367-71 (2014)
Hoffmann-La Roche
Novel azoles as potent and selective cannabinoid CB2 receptor agonists.EBI
Bioorg Med Chem Lett 25: 88-91 (2015)
Ipsen Innovation
Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.EBI
Bioorg Med Chem Lett 25: 75-82 (2015)
Genentech
a-Ketoamino acid ester derivatives as promising MAO inhibitors.EBI
Bioorg Med Chem Lett 25: 70-4 (2015)
King Saud University
Dibenzazepines and dibenzoxazepines as sodium channel blockers.EBI
Bioorg Med Chem Lett 25: 43-7 (2015)
Purdue Pharma
Phosphoinositide-3-kinase inhibitors: evaluation of substituted alcohols as replacements for the piperazine sulfonamide portion of AMG 511.EBI
Bioorg Med Chem Lett 24: 5630-4 (2014)
Amgen
Synthesis of the novel elemonic acid derivatives as Pin1 inhibitors.EBI
Bioorg Med Chem Lett 24: 5612-5 (2014)
Shenyang Pharmaceutical University
The SAR development of substituted purine derivatives as selective CB2 agonists for the treatment of chronic pain.EBI
Bioorg Med Chem Lett 24: 5572-5 (2014)
Eli Lilly
▀-Keto and▀-hydroxyphosphonate analogs of biotin-5'-AMP are inhibitors of holocarboxylase synthetase.EBI
Bioorg Med Chem Lett 24: 5568-71 (2014)
University Of Nebraska-Lincoln
Further evaluation of novel structural modifications to scaffolds that engender PLD isoform selective inhibition.EBI
Bioorg Med Chem Lett 24: 5553-7 (2014)
Vanderbilt University
Discovery of novel Bcr-Abl inhibitors targeting myristoyl pocket and ATP site.EBI
Bioorg Med Chem 22: 6876-84 (2014)
Xi'An Jiaotong University
Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of ?3?4 nicotinic acetylcholine receptor.EBI
Bioorg Med Chem 22: 6846-56 (2014)
Medical University Of Lublin
Organocatalyzed solvent free an efficient novel synthesis of 2,4,5-trisubstituted imidazoles for a-glucosidase inhibition to treat diabetes.BDB
Bioorg Chem 58: 65-71 (2015)
Comsats Institute Of Information Technology
Salicylanilide diethyl phosphates as cholinesterases inhibitors.BDB
Bioorg Chem 58: 48-52 (2015)
Charles University In Prague
Design, synthesis and biological evaluation of 6-(nitroimidazole-1H-alkyloxyl)-4-anilinoquinazolines as efficient EGFR inhibitors exerting cytotoxic effects both under normoxia and hypoxia.EBI
Eur J Med Chem 89: 826-34 (2014)
Zhejiang University
Structural development studies of PPARs ligands based on tyrosine scaffold.EBI
Eur J Med Chem 89: 817-25 (2014)
Universit£&Quot;G. D'Annunzio&Quot
Deconstruction of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline moiety to separate P-glycoprotein (P-gp) activity froms2 receptor affinity in mixed P-gp/s2 receptor agents.EBI
Eur J Med Chem 89: 691-700 (2014)
Universit£
Prospects of an alternative treatment against Trypanosoma cruzi based on abietic acid derivatives show promising results in Balb/c mouse model.EBI
Eur J Med Chem 89: 683-90 (2014)
University Of Granada
Development of 3-hydroxycinnamamide-based HDAC inhibitors with potent in vitro and in vivo anti-tumor activity.EBI
Eur J Med Chem 89: 628-37 (2014)
Shandong University
From mixed sigma-2 receptor/P-glycoprotein targeting agents to selective P-glycoprotein modulators: small structural changes address the mechanism of interaction at the efflux pump.EBI
Eur J Med Chem 89: 606-15 (2014)
Universit£
1-Phenylsulfinyl-3-(pyridin-3-yl)naphthalen-2-ols: a new class of potent and selective aldosterone synthase inhibitors.EBI
Eur J Med Chem 89: 597-605 (2014)
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)
Design, synthesis and biological evaluation of bis-aryl ureas and amides based on 2-amino-3-purinylpyridine scaffold as DFG-out B-Raf kinase inhibitors.EBI
Eur J Med Chem 89: 581-96 (2014)
China Pharmaceutical University
Design, synthesis and in vitro antitumor activity of novel N-substituted-4-phenyl/benzylphthalazin-1-ones.EBI
Eur J Med Chem 89: 549-60 (2014)
Egyptian Russian University
Development and evaluation of ST-1829 based on 5-benzylidene-2-phenylthiazolones as promising agent for anti-leukotriene therapy.EBI
Eur J Med Chem 89: 503-23 (2014)
Goethe-University Frankfurt
A review on recent developments of indole-containing antiviral agents.EBI
Eur J Med Chem 89: 421-41 (2014)
Central China Normal University
Inhibition of pseudolysin and thermolysin by hydroxamate-based MMP inhibitors.EBI
Eur J Med Chem 89: 340-8 (2015)
Uit - The Arctic University Of Norway
In vitro and in vivo characterization of a benzofuran derivative, a potential anticancer agent, as a novel Aurora B kinase inhibitor.EBI
Eur J Med Chem 89: 310-9 (2014)
Fudan University
Synthesis and evaluation of new indole-based chalcones as potential antiinflammatory agents.EBI
Eur J Med Chem 89: 304-9 (2014)
Anadolu University
New tetracyclic tacrine analogs containing pyrano[2,3-c]pyrazole: efficient synthesis, biological assessment and docking simulation study.EBI
Eur J Med Chem 89: 296-303 (2014)
Tehran University Of Medical Sciences
Carboline- and phenothiazine-derivated heterocycles as potent SIGMA-1 protein ligands.EBI
Eur J Med Chem 89: 198-206 (2014)
University Of Lille
Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study.EBI
Eur J Med Chem 89: 189-97 (2014)
Academy Of Sciences Of The Czech Republic
Synthesis and structure--activity relationship of new cytotoxic agents targeting human glutathione-S-transferases.EBI
Eur J Med Chem 89: 156-71 (2014)
Sapienza University Of Rome
Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4'-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11▀-hydroxylase.EBI
Eur J Med Chem 89: 106-14 (2014)
Universit£
In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.EBI
Eur J Med Chem 89: 98-105 (2014)
Universit£
Further studies on pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as potent and selective human A1 adenosine receptor antagonists.EBI
Eur J Med Chem 89: 32-41 (2014)
Universit£
Piperazine derivatives: synthesis, inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase and SAR studies.EBI
Eur J Med Chem 90: 436-47 (2015)
Pontif£Cia Universidade Cat£Lica Do Rio Grande Do Sul
Discovery of novel indole derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase.EBI
Eur J Med Chem 90: 394-405 (2015)
Chinese Academy Of Medical Sciences & Peking Union Medical College
Bioactive benzofuran derivatives: moracins A-Z in medicinal chemistry.EBI
Eur J Med Chem 90: 379-93 (2015)
Dongguk University-Seoul
Conformationally-locked N-glycosides: exploiting long-range non-glycone interactions in the design of pharmacological chaperones for Gaucher disease.EBI
Eur J Med Chem 90: 258-66 (2015)
Universitat Rovira I Virgili
Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.EBI
Eur J Med Chem 90: 241-50 (2015)
Chinese Academy Of Sciences
Synthesis and biological evaluation of new pyrazol-4-ylpyrimidine derivatives as potential ROS1 kinase inhibitors.EBI
Eur J Med Chem 90: 195-208 (2015)
Korea University Of Science And Technology
Design, synthesis and evaluation of novel 2-(1H-imidazol-2-yl) pyridine Sorafenib derivatives as potential BRAF inhibitors and anti-tumor agents.EBI
Eur J Med Chem 90: 170-83 (2015)
China Pharmaceutical University
Synthetic approaches, functionalization and therapeutic potential of quinazoline and quinazolinone skeletons: the advances continue.EBI
Eur J Med Chem 90: 124-69 (2015)
University Of Nottingham
Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity. Part 4.EBI
Eur J Med Chem 90: 21-32 (2015)
Medical University Of Warsaw
Haloperidol metabolite II prodrug: asymmetric synthesis and biological evaluation on rat C6 glioma cells.EBI
Eur J Med Chem 90: 1-9 (2015)
Universit£
Inhibition of AMP deaminase activity does not improve glucose control in rodent models of insulin resistance or diabetes.BDB
Chem Biol 21: 1486-96 (2014)
Astrazeneca R&D
Discovery of potent KIFC1 inhibitors using a method of integrated high-throughput synthesis and screening.EBI
J Med Chem 57: 9958-70 (2014)
Astrazeneca
Rational design of novel CYP2A6 inhibitors.EBI
Bioorg Med Chem 22: 6655-64 (2015)
University Of Eastern Finland
Synthesis, GluN2B affinity and selectivity of benzo[7]annulen-7-amines.EBI
Bioorg Med Chem 22: 6638-46 (2015)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster
(R)-3-amino-1-((3aS,7aS)-octahydro-1H-indol-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one derivatives as potent inhibitors of dipeptidyl peptidase-4: design, synthesis, biological evaluation, and molecular modeling.EBI
Bioorg Med Chem 22: 6684-93 (2014)
Chinese Academy Of Sciences
Oseltamivir hydroxamate and acyl sulfonamide derivatives as influenza neuraminidase inhibitors.EBI
Bioorg Med Chem 22: 6647-54 (2015)
TBA
Design, synthesis and biological evaluation of FLT3 covalent inhibitors with a resorcylic acid core.EBI
Bioorg Med Chem 22: 6625-37 (2015)
TBA
Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles.EBI
Bioorg Med Chem 22: 6595-615 (2015)
TBA
Structural modifications of coumarin derivatives: Determination of antioxidant and lipoxygenase (LOX) inhibitory activity.EBI
Bioorg Med Chem 22: 6586-94 (2015)
TBA
Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.EBI
Bioorg Med Chem 22: 6570-85 (2015)
TBA
Synthesis and biological evaluation of novel oxindole-based RTK inhibitors as anti-cancer agents.EBI
Bioorg Med Chem 22: 6953-60 (2014)
Wenzhou Medical University
4-Functionalized 1,3-diarylpyrazoles bearing 6-aminosulfonylbenzothiazole moiety as potent inhibitors of carbonic anhydrase isoforms hCA I, II, IX and XII.EBI
Bioorg Med Chem 22: 6945-52 (2014)
Kurukshetra University
Targeting (cellular) lysosomal acid ceramidase by B13: design, synthesis and evaluation of novel DMG-B13 ester prodrugs.EBI
Bioorg Med Chem 22: 6933-44 (2014)
Medical University Of South Carolina
Discovery of novel tetrahydroisoquinoline derivatives as orally active N-type calcium channel blockers with high selectivity for hERG potassium channels.EBI
Bioorg Med Chem 22: 6899-907 (2014)
Astellas Pharma
An efficient synthesis and biological screening of benzofuran and benzo[d]isothiazole derivatives for Mycobacterium tuberculosis DNA GyrB inhibition.EBI
Bioorg Med Chem 22: 6552-63 (2015)
TBA
Cyclic side-chain-linked opioid analogs utilizing cis- and trans-4-aminocyclohexyl-D-alanine.EBI
Bioorg Med Chem 22: 6545-51 (2015)
TBA
Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK).EBI
Bioorg Med Chem Lett 24: 5818-23 (2014)
Evotec
Effect of acyclic monoterpene alcohols and their derivatives on TRP channels.EBI
Bioorg Med Chem Lett 24: 5507-11 (2015)
Sapienza University Of Rome
Aurones as histone deacetylase inhibitors: identification of key features.EBI
Bioorg Med Chem Lett 24: 5497-501 (2015)
University Of Geneva
2-Aminopyrimidin-4(1H)-one as the novel bioisostere of urea: discovery of novel and potent CXCR2 antagonists.EBI
Bioorg Med Chem Lett 24: 5493-6 (2015)
Glaxosmithkline
The effect of pK(a) on pyrimidine/pyridine-derived histamine H4 ligands.EBI
Bioorg Med Chem Lett 24: 5489-92 (2015)
Janssen Research And Development
Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists.EBI
Bioorg Med Chem Lett 24: 5478-83 (2015)
Genomics Institute Of The Novartis Research Foundation
Serendipitous discovery of 2-((phenylsulfonyl)methyl)-thieno[3,2-d]pyrimidine derivatives as novel HIV-1 replication inhibitors.EBI
Bioorg Med Chem Lett 24: 5473-7 (2015)
Institut Pasteur Korea
The discovery of avanafil for the treatment of erectile dysfunction: a novel pyrimidine-5-carboxamide derivative as a potent and highly selective phosphodiesterase 5 inhibitor.EBI
Bioorg Med Chem Lett 24: 5460-5 (2015)
Mitsubishi Tanabe Pharma
Discovery of potent iminoheterocycle BACE1 inhibitors.EBI
Bioorg Med Chem Lett 24: 5455-9 (2015)
Merck Research Laboratories
Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity.EBI
Bioorg Med Chem Lett 24: 5525-9 (2014)
University Of Siena
Identification of a novel 2-pyridyl-benzensulfonamide derivative, RQ-00203078, as a selective and orally active TRPM8 antagonist.EBI
Bioorg Med Chem Lett 24: 5364-8 (2014)
Raqualia Pharma
Anithiactins A-C, modified 2-phenylthiazoles from a mudflat-derived Streptomyces sp.EBI
J Nat Prod 77: 2716-9 (2014)
Seoul National University
Iterative conversion of cyclin binding groove peptides into druglike CDK inhibitors with antitumor activity.EBI
J Med Chem 58: 433-42 (2015)
University Of South Carolina
Design and nuclear magnetic resonance (NMR) structure determination of the second extracellular immunoglobulin tyrosine kinase A (TrkAIg2) domain construct for binding site elucidation in drug discovery.EBI
J Med Chem 58: 767-77 (2015)
Southmead Hospital
Anilinotriazoles as potent gamma secretase modulators.EBI
Bioorg Med Chem Lett 24: 5805-13 (2014)
Janssen Pharmaceutica
Dilazep analogues for the study of equilibrative nucleoside transporters 1 and 2 (ENT1 and ENT2).EBI
Bioorg Med Chem Lett 24: 5801-4 (2014)
University Of Tennessee Health Science Center
Histone deacetylase inhibitors derived from 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine and related heterocycles selective for the HDAC6 isoform.EBI
Bioorg Med Chem Lett 24: 5450-4 (2015)
TBA
Synthesis and antiprotozoal activity of oligomethylene- and p-phenylene-bis(methylene)-linked bis(+)-huprines.EBI
Bioorg Med Chem Lett 24: 5435-8 (2015)
TBA
Tanzawaic acid derivatives from a marine isolate of Penicillium sp. (SF-6013) with anti-inflammatory and PTP1B inhibitory activities.EBI
Bioorg Med Chem Lett 24: 5787-91 (2014)
Wonkwang University
Novel indolizine derivatives with unprecedented inhibitory activity on human farnesyltransferase.EBI
Bioorg Med Chem Lett 24: 5777-81 (2014)
Alexandru Ioan Cuza University
A reversed sulfonamide series of selective RORc inverse agonists.EBI
Bioorg Med Chem Lett 24: 5769-76 (2014)
Argenta Discovery
Monocyclic 4-amino-6-(phenylamino)-1,3,5-triazines as inhibitors of human DNA topoisomerase IIa.EBI
Bioorg Med Chem Lett 24: 5762-8 (2014)
National Institute Of Chemistry
New efficient imidazolium aldoxime reactivators for nerve agent-inhibited acetylcholinesterase.EBI
Bioorg Med Chem Lett 24: 5743-8 (2014)
Institute Of Pharmacology And Toxicology
Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors.EBI
Bioorg Med Chem Lett 24: 5721-6 (2014)
Bristol-Myers Squibb
A simple, general approach of allosteric coagulation enzyme inhibition through monosulfated hydrophobic scaffolds.EBI
Bioorg Med Chem Lett 24: 5716-20 (2014)
Virginia Commonwealth University
Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.EBI
Bioorg Med Chem Lett 24: 5704-9 (2014)
Genentech
Synthesis and PGE2 production inhibition of s-triazine derivatives as a novel scaffold in RAW 264.7 macrophage cells.EBI
Bioorg Med Chem Lett 24: 5418-22 (2015)
TBA
Design, synthesis and anticancer evaluation of tetrahydro-▀-carboline-hydantoin hybrids.EBI
Bioorg Med Chem Lett 24: 5413-7 (2015)
TBA
Lithocarpic acids O-S, five homo-cycloartane derivatives from the cupules of Lithocarpus polystachyus.EBI
Bioorg Med Chem Lett 24: 5395-8 (2015)
TBA
Protective effects of aloe-emodin on scopolamine-induced memory impairment in mice and H2O2-induced cytotoxicity in PC12 cells.EBI
Bioorg Med Chem Lett 24: 5385-9 (2015)
TBA
Design and synthesis of novel small molecule CCR2 antagonists: evaluation of 4-aminopiperidine derivatives.EBI
Bioorg Med Chem Lett 24: 5377-80 (2015)
TBA
Design, synthesis, biological evaluation, and molecular docking of novel benzopyran and phenylpyrazole derivatives as Akt inhibitors.BDB
Chem Biol Drug Des 85: 770-9 (2015)
Zhejiang University
┐F508-CFTR correctors: synthesis and evaluation of thiazole-tethered imidazolones, oxazoles, oxadiazoles, and thiadiazoles.EBI
Bioorg Med Chem Lett 24: 5840-4 (2014)
Wuhan University Of Science And Technology
A simple and widely applicable hit validation strategy for protein-protein interaction inhibitors based on a quantitative ligand displacement assay.EBI
Bioorg Med Chem Lett 24: 5836-9 (2014)
Takeda Pharmaceutical
Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists.EBI
Bioorg Med Chem Lett 24: 5832-5 (2014)
Korea Research Institute Of Chemical Technology
Amine-linked diquercitols as newa-glucosidase inhibitors.EBI
Bioorg Med Chem Lett 24: 5530-3 (2014)
Chulalongkorn University
Synthesis of novel pyrazole?thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors.EBI
Bioorg Med Chem Lett 24: 5324-9 (2015)
Kle University
Thiophenes, polyacetylenes and terpenes from the aerial parts of Eclipata prostrate.EBI
Bioorg Med Chem 22: 6515-22 (2015)
TBA
Carbonic anhydrase inhibitory activity of sulfonamides and carboxylic acids incorporating cyclic imide scaffolds.EBI
Bioorg Med Chem Lett 24: 5185-9 (2014)
King Saud University
Design, synthesis and molecular docking of substituted 3-hydrazinyl-3-oxo-propanamides as anti-tubercular agents.EBI
Bioorg Med Chem Lett 24: 5181-4 (2014)
Csir-Central Drug Research Institute
Design and synthesis of novel 5-(3,4,5-trimethoxybenzoyl)-4-aminopyrimidine derivatives as potent and selective phosphodiesterase 5 inhibitors: scaffold hopping using a pseudo-ring by intramolecular hydrogen bond formation.EBI
Bioorg Med Chem Lett 24: 5175-80 (2014)
Mitsubishi Tanabe Pharma
Bioactive compounds from the insect Aspongopus chinensis.EBI
Bioorg Med Chem Lett 24: 5164-9 (2014)
Chinese Academy Of Sciences
Homology modeling and explicit membrane molecular dynamics simulation to delineate the mode of binding of thiazolidinediones into FFAR1 and the mechanism of receptor activation.EBI
Bioorg Med Chem Lett 24: 5330-6 (2014)
Suez Canal University
Discovery of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, ivacaftor), a potent and orally bioavailable CFTR potentiator.EBI
J Med Chem 57: 9776-95 (2014)
Vertex Pharmaceuticals
Synthetic derivatives of aromatic abietane diterpenoids and their biological activities.EBI
Eur J Med Chem 87: 834-42 (2014)
Universidad De Valencia
Design, synthesis and biological evaluation of novel thieno[3,2-d]pyrimidine derivatives possessing diaryl semicarbazone scaffolds as potent antitumor agents.EBI
Eur J Med Chem 87: 782-93 (2014)
Shenyang Pharmaceutical University
A dual inhibitor of matrix metalloproteinases and a disintegrin and metalloproteinases, [╣8F]FB-ML5, as a molecular probe for non-invasive MMP/ADAM-targeted imaging.EBI
Bioorg Med Chem 23: 192-202 (2014)
University Medical Center Groningen
Discovery andw biological evaluation of novel 6,7-disubstituted-4-(2-fluorophenoxy)quinoline derivatives possessing 1,2,3-triazole-4-carboxamide moiety as c-Met kinase inhibitors.EBI
Bioorg Med Chem 22: 6438-52 (2014)
Key Laboratory Of Structure-Based Drug Design And Discovery (Shenyang Pharmaceutical University)
Synthesis and analysis of potentiala1,3-fucosyltransferase inhibitors.EBI
Bioorg Med Chem 22: 6430-7 (2014)
Hamburg University
Inhibition of myeloperoxidase: evaluation of 2H-indazoles and 1H-indazolones.EBI
Bioorg Med Chem 22: 6422-9 (2014)
University Of California
Synthesis and evaluation of bivalent ligands for binding to the human melanocortin-4 receptor.EBI
Bioorg Med Chem 22: 6360-5 (2014)
University Of Arizona
Ferrier sulfamidoglycosylation of glycals catalyzed by nitrosonium tetrafluoroborate: towards new carbonic anhydrase glycoinhibitors.EBI
Bioorg Med Chem 22: 6353-9 (2014)
Ecole Nationale Sup£Rieure De Chimie De Montpellier
Identification of novel thiadiazoloacrylamide analogues as inhibitors of dengue-2 virus NS2B/NS3 protease.EBI
Bioorg Med Chem 22: 6344-52 (2014)
China Pharmaceutical University
Novel strategy to boost oral anticoagulant activity of blood coagulation enzyme inhibitors based on biotransformation into hydrophilic conjugates.EBI
Bioorg Med Chem 22: 6324-32 (2014)
Astellas Pharma
Catechol-based substrates of chalcone synthase as a scaffold for novel inhibitors of PqsD.EBI
Eur J Med Chem 90: 351-9 (2015)
Institute For Pharmaceutical Research Saarland (Hips)
Design and synthesis of protein kinase C epsilon selective diacylglycerol lactones (DAG-lactones).EBI
Eur J Med Chem 90: 332-41 (2015)
Seoul National University
Design, synthesis and evaluation of marinopyrrole derivatives as selective inhibitors of Mcl-1 binding to pro-apoptotic Bim and dual Mcl-1/Bcl-xL inhibitors.EBI
Eur J Med Chem 90: 315-31 (2015)
University Of Nebraska
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists III: the role of a hydrogen-bond acceptor in long receptor residence times.EBI
Bioorg Med Chem Lett 24: 5127-33 (2014)
RhôNe-Poulenc Rorer
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists II: lead optimization.EBI
Bioorg Med Chem Lett 24: 5123-6 (2014)
RhôNe-Poulenc Rorer
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I.EBI
Bioorg Med Chem Lett 24: 5118-22 (2014)
RhôNe-Poulenc Rorer
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of pyrrolopiperidinone acetic acids as CRTh2 antagonists.EBI
Bioorg Med Chem Lett 24: 5111-7 (2014)
RhôNe-Poulenc Rorer
Sterol fatty acid esters from the mushroom Hericium erinaceum and their PPAR transactivational effects.EBI
J Nat Prod 77: 2611-8 (2014)
Yeungnam University
Norbornane-based nucleoside and nucleotide analogues locked in North conformation.EBI
Bioorg Med Chem 23: 184-91 (2014)
Academy Of Sciences Of The Czech Republic
Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT1A receptor functional profile.EBI
Bioorg Med Chem 23: 212-21 (2014)
Jagiellonian University Medical College
New trisubstituted 1,2,4-triazoles as ghrelin receptor antagonists.EBI
Bioorg Med Chem Lett 25: 20-4 (2014)
University Of Montpellier
Liver X receptor (LXR) partial agonists: biaryl pyrazoles and imidazoles displaying a preference for LXR▀.EBI
Bioorg Med Chem Lett 25: 372-7 (2014)
Bristol-Myers Squibb
Discovery and SAR of muscarinic receptor subtype 1 (M1) allosteric activators from a molecular libraries high throughput screen. Part 1: 2,5-dibenzyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-ones as positive allosteric modulators.EBI
Bioorg Med Chem Lett 25: 384-8 (2014)
Vanderbilt University Medical Center
N-Aryl azacycles as novel sodium channel blockers.EBI
Bioorg Med Chem Lett 25: 48-52 (2014)
Purdue Pharma
2-Substituted N┐-glutamylanilides as novel probes of ASCT2 with improved potency.EBI
Bioorg Med Chem Lett 25: 113-6 (2014)
Vanderbilt University Institute Of Imaging Science (Vuiis)
Spirotetronate polyketides as leads in drug discovery.EBI
J Nat Prod 78: 562-75 (2015)
University Of California San Diego
Synthesis and carbonic anhydrase isoenzymes I, II, IX, and XII inhibitory effects of dimethoxybromophenol derivatives incorporating cyclopropane moieties.EBI
J Med Chem 58: 640-50 (2015)
Atat£Rk University
Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent.EBI
J Med Chem 57: 10304-13 (2014)
Sun Yat-Sen University
Synthesis and structure-activity relationship studies of small molecule disruptors of EWS-FLI1 interactions in Ewing's sarcoma.EBI
J Med Chem 57: 10290-303 (2014)
Georgetown University Medical Center
Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles.EBI
J Med Chem 57: 10424-42 (2014)
Glaxosmithkline
Cytoprotective effects of hydrogen sulfide-releasing EBI
Medchemcomm 5: 1577-1583 (2014)
Harvard Medical School
Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.EBI
J Med Chem 58: 1012-8 (2015)
University Of California San Francisco
Synthesis and┐-opioid receptor activity of furan-substituted salvinorin A analogues.EBI
J Med Chem 57: 10464-75 (2014)
The University Of Kansas
Discovery of (S)-2-cyclopentyl-N-((1-isopropylpyrrolidin2-yl)-9-methyl-1-oxo-2,9-dihydro-1H-pyrrido[3,4-b]indole-4-carboxamide (VU0453379): a novel, CNS penetrant glucagon-like peptide 1 receptor (GLP-1R) positive allosteric modulator (PAM).EBI
J Med Chem 57: 10192-7 (2014)
Vanderbilt University School Of Medicine
Decreasing the rate of metabolic ketone reduction in the discovery of a clinical acetyl-CoA carboxylase inhibitor for the treatment of diabetes.EBI
J Med Chem 57: 10512-26 (2014)
Pfizer
In vivo phenotypic screening for treating chronic neuropathic pain: modification of C2-arylethynyl group of conformationally constrained A3 adenosine receptor agonists.EBI
J Med Chem 57: 9901-14 (2014)
National Institute Of Diabetes And Digestive And Kidney Diseases
Synthesis and biological evaluation of novel sigma-1 receptor antagonists based on pyrimidine scaffold as agents for treating neuropathic pain.EBI
J Med Chem 57: 10404-23 (2014)
Huazhong University Of Science And Technology
Antiadhesive properties of glycoclusters against Pseudomonas aeruginosa lung infection.EBI
J Med Chem 57: 10275-89 (2014)
Universit£
Nanomolar-Potency Small Molecule Inhibitor of STAT5 Protein.EBI
ACS Med Chem Lett 5: 1202-1206 (2014)
University Of Toronto Mississauga
Synthesis of Novel Hybrids Inspired from Bromopyrrole Alkaloids Inhibiting MMP-2 and -12 as Antineoplastic Agents.BDB
Chem Biol Drug Des 86: 210-22 (2015)
University Of Kwazulu-Nata
N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor.EBI
J Med Chem 57: 10455-63 (2014)
Laboratorio De Quimica Medica (Iqog, Csic)
Electrophilic warhead-based design of compounds preventing NLRP3 inflammasome-dependent pyroptosis.EBI
J Med Chem 57: 10366-82 (2014)
Universit£
Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors.EBI
J Med Chem 57: 9945-57 (2014)
Sapienza University Of Rome
Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.EBI
J Med Chem 57: 10476-85 (2014)
Eli Lilly
Inhibitors of c-Jun N-terminal kinases: an update.EBI
J Med Chem 58: 72-95 (2015)
Eberhard Karls Universit£T T£Bingen
Novel insights into structure and function of factor XIIIa-inhibitor tridegin.EBI
J Med Chem 57: 10355-65 (2014)
University Of Bonn
Synthesis of gallinamide A analogues as potent falcipain inhibitors and antimalarials.EBI
J Med Chem 57: 10557-63 (2014)
The University Of Sydney
Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.EBI
J Med Chem 57: 9855-69 (2014)
University Of Dundee
8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors.EBI
J Med Chem 57: 10112-29 (2014)
Array Biopharma
A chemical tuned strategy to develop novel irreversible EGFR-TK inhibitors with improved safety and pharmacokinetic profiles.EBI
J Med Chem 57: 9889-900 (2014)
Zhejiang University
Design of Fluorine-Containing 3,4-Diarylfuran-2(5H)-ones as Selective COX-1 Inhibitors.EBI
ACS Med Chem Lett 5: 1254-8 (2014)
Vanderbilt University School Of Medicine
Structure-Metabolism Relationships in the Glucuronidation of d-Amino Acid Oxidase Inhibitors.EBI
ACS Med Chem Lett 5: 1251-3 (2014)
Johns Hopkins University
Dihydropyrrolo[2,3-d]pyrimidines: Selective Toll-Like Receptor 9 Antagonists from Scaffold Morphing Efforts.EBI
ACS Med Chem Lett 5: 1235-9 (2014)
Sumitomo Dainippon Pharma
Discovery of Highly Potent Dual CysLT1 and CysLT2 Antagonist.EBI
ACS Med Chem Lett 5: 1230-4 (2014)
Ono Pharmaceutical
Inhibitors of HGFA, Matriptase, and Hepsin Serine Proteases: A Nonkinase Strategy to Block Cell Signaling in Cancer.EBI
ACS Med Chem Lett 5: 1219-24 (2014)
Washington University
Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.EBI
ACS Med Chem Lett 5: 1213-8 (2014)
Astrazeneca
Structure Activity Relationships of ?v Integrin Antagonists for Pulmonary Fibrosis by Variation in Aryl Substituents.EBI
ACS Med Chem Lett 5: 1207-12 (2014)
University Of Nottingham
Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selectivea4▀2-nAChR Ligands.EBI
ACS Med Chem Lett 5: 1196-201 (2014)
University Of Illinois At Chicago
1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain.EBI
ACS Med Chem Lett 5: 1190-5 (2014)
Glaxosmithkline
Pyrazolsulfonamide agonists of oxytocin receptor.EBI
ACS Med Chem Lett 5: 1188-9 (2014)
Dart Neuroscience
Liver x receptor agonists for the treatment of coronary heart disease and other disorders.EBI
ACS Med Chem Lett 5: 1186-7 (2014)
Therachem Research Medilab (India)
Inhibitors of Mutant IDH for the Treatment of Cancer.EBI
ACS Med Chem Lett 5: 1184-5 (2014)
Therachem Research Medilab (India)
Neutrophil elastase inhibitors as potential anti-inflammatory therapies.EBI
ACS Med Chem Lett 5: 1182-3 (2014)
Therachem Research Medilab (India)
Thermodynamics of binding of structurally similar ligands to histone deacetylase 8 sheds light on challenges in the rational design of potent and isozyme-selective inhibitors of the enzyme.BDB
Biochemistry 53: 7445-58 (2014)
North Dakota State University
Targeting DNA methylation with small molecules: what's next?EBI
J Med Chem 58: 2569-83 (2015)
Cnrs-Pierre Fabre
Selective inhibitors of protein methyltransferases.EBI
J Med Chem 58: 1596-629 (2015)
Icahn School Of Medicine At Mount Sinai
Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity.EBI
J Med Chem 57: 9915-32 (2014)
Bristol-Myers Squibb
Small-molecule inhibitors of the MDM2-p53 protein-protein interaction (MDM2 Inhibitors) in clinical trials for cancer treatment.EBI
J Med Chem 58: 1038-52 (2015)
University Of Michigan Comprehensive Cancer Center And Departments Of Internal Medicine
Discovery of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for the potential treatment of chronic hepatitis C virus infection.EBI
J Med Chem 57: 10130-43 (2014)
Boehringer Ingelheim (Canada)
Dicarba analogues ofa-conotoxin RgIA. Structure, stability, and activity at potential pain targets.EBI
J Med Chem 57: 9933-44 (2014)
Monash University (Parkville Campus)
Design and synthesis of highly potent and isoform selective JNK3 inhibitors: SAR studies on aminopyrazole derivatives.EBI
J Med Chem 57: 10013-30 (2014)
Translational Research Institute
Lead optimization and modulation of hERG activity in a series of aminooxazoline xanthene▀-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.EBI
J Med Chem 57: 9796-810 (2014)
Amgen
Analysis of subpocket selectivity and identification of potent selective inhibitors for matriptase and matriptase-2.EBI
J Med Chem 57: 10198-204 (2014)
Universit£
Phosphatidylinositol 3-Kinase (PI3K) and phosphatidylinositol 3-kinase-related kinase (PIKK) inhibitors: importance of the morpholine ring.EBI
J Med Chem 58: 41-71 (2015)
University Hospital Hradec Kralove
Discovery of desketoraloxifene analogues as inhibitors of mammalian, Pseudomonas aeruginosa, and NAPE phospholipase D enzymes.BDB
ACS Chem Biol 10: 421-32 (2015)
Vanderbilt University
Discovery heralds new approach to the treatment of cystic fibrosis.EBI
J Med Chem 57: 9774-5 (2014)
Jl3Pharma
Discovery of AM-7209, a potent and selective 4-amidobenzoic acid inhibitor of the MDM2-p53 interaction.EBI
J Med Chem 57: 10499-511 (2014)
Amgen
Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90.EBI
J Med Chem 57: 9832-43 (2014)
Chinese Academy Of Sciences
Chroman-4-one- and chromone-based sirtuin 2 inhibitors with antiproliferative properties in cancer cells.EBI
J Med Chem 57: 9870-88 (2014)
University Of Gothenburg
Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation.EBI
J Med Chem 57: 10176-91 (2014)
Genentech
Discovery of 2-(cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as a new series of potent phosphodiesterase 7 inhibitors.EBI
J Med Chem 57: 9844-54 (2014)
Kyoto 607-8042
Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1.BDB
Chembiochem 16: 59-63 (2015)
University Of Copenhagen
Synthesis, biological evaluation, and 3D QSAR study of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters as N-acylethanolamine acid amidase (NAAA) inhibitors.EBI
J Med Chem 57: 10101-11 (2014)
Istituto Italiano Di Tecnologia
Biochemical and structural analysis of inhibitors targeting the ADC-7 cephalosporinase of Acinetobacter baumannii.BDB
Biochemistry 53: 7670-9 (2014)
Grand Valley State University
Discovery and optimization of an azetidine chemical series as a free fatty acid receptor 2 (FFA2) antagonist: from hit to clinic.EBI
J Med Chem 57: 10044-57 (2014)
Galapagos
Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.EBI
J Med Chem 57: 9644-57 (2014)
Technical University Of Denmark
Quinone reductase 2 is an adventitious target of protein kinase CK2 inhibitors TBBz (TBI) and DMAT.BDB
Biochemistry 54: 47-59 (2015)
University Of Western Ontario
SAR studies on tetrahydroisoquinoline derivatives: the role of flexibility and bioisosterism to raise potency and selectivity toward P-glycoprotein.EBI
J Med Chem 57: 9983-94 (2014)
Universit£
Targeting aldose reductase for the treatment of diabetes complications and inflammatory diseases: new insights and future directions.EBI
J Med Chem 58: 2047-67 (2015)
Universit£
Positive allosteric modulators of 2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid receptors belonging to 4-cyclopropyl-3,4-dihydro-2h-1,2,4-pyridothiadiazine dioxides and diversely chloro-substituted 4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxides.EBI
J Med Chem 57: 9539-53 (2014)
University Of Liege
Structures and bioactivities of dihydrochalcones from Metrodorea stipularis.EBI
J Nat Prod 77: 2418-22 (2014)
Universidade Federal De S£O Carlos
Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening.EBI
J Med Chem 57: 9309-22 (2014)
Shandong University
Imidazopyridine- and purine-thioacetamide derivatives: potent inhibitors of nucleotide pyrophosphatase/phosphodiesterase 1 (NPP1).EBI
J Med Chem 57: 10080-100 (2014)
Ku Leuven
SAR156497, an exquisitely selective inhibitor of aurora kinases.EBI
J Med Chem 58: 362-75 (2015)
Sanofi
Astemizole arrests the proliferation of cancer cells by disrupting the EZH2-EED interaction of polycomb repressive complex 2.EBI
J Med Chem 57: 9512-21 (2014)
Chinese Academy Of Sciences
▀-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand.EBI
J Med Chem 57: 9370-82 (2014)
Trinity College
Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634.EBI
J Med Chem 57: 9323-42 (2014)
Galapagos
Design, structure-activity relationship, and in vivo characterization of the development candidate NVP-HSP990.EBI
J Med Chem 57: 9124-9 (2014)
Novartis Institutes For Biomedical Research
Biphenyl-4-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-methylamide (CA224), a nonplanar analogue of fascaplysin, inhibits Cdk4 and tubulin polymerization: evaluation of in vitro and in vivo anticancer activity.EBI
J Med Chem 57: 9658-72 (2014)
De Montfort University
The discovery of potent, selective, and reversible inhibitors of the house dust mite peptidase allergen Der p 1: an innovative approach to the treatment of allergic asthma.EBI
J Med Chem 57: 9447-62 (2014)
Domainex
Reversible ketomethylene-based inhibitors of human neutrophil proteinase 3.EBI
J Med Chem 57: 9396-408 (2014)
University Of Bergen
Inhibiting the deubiquitinating enzymes (DUBs).EBI
J Med Chem 58: 1581-95 (2015)
Genentech
Inhibitors of▀-site amyloid precursor protein cleaving enzyme (BACE1): identification of (S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718).EBI
J Med Chem 57: 9811-31 (2014)
Amgen
Enzymatic Studies of Isoflavonoids as Selective and Potent Inhibitors of Human Leukocyte 5-Lipo-Oxygenase.BDB
Chem Biol Drug Des 86: 114-21 (2015)
Universidad De Santiago
Synthesis of 7-halogenated isatin sulfonamides: nonradioactive counterparts of caspase-3/-7 inhibitor-based potential radiopharmaceuticals for molecular imaging of apoptosis.EBI
J Med Chem 57: 9383-95 (2014)
Westf£Lische Wilhelms-Universit£T M£Nster
Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.EBI
J Med Chem 57: 9435-46 (2014)
Vilnius University
A class of 4-sulfamoylphenyl-┐-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.EBI
J Med Chem 57: 9673-86 (2014)
Universit£
Structure-based design and development of functionalized Mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Staphylococcus aureus.EBI
J Med Chem 57: 9612-26 (2014)
Monash University
Synthesis and structure-activity relationship study of chemical probes as hypoxia induced factor-1a/malate dehydrogenase 2 inhibitors.EBI
J Med Chem 57: 9522-38 (2014)
Dongguk University-Seoul
Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.EBI
J Med Chem 58: 419-32 (2015)
Pfizer
A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery.BDB
Chem Biol Drug Des 85: 756-69 (2015)
University Of California San Diego
Hybrids of phenylsulfonylfuroxan and coumarin as potent antitumor agents.EBI
J Med Chem 57: 9343-56 (2014)
Fudan University
Discovery of a Potent and Selective DGAT1 Inhibitor with a Piperidinyl-oxy-cyclohexanecarboxylic Acid Moiety.EBI
ACS Med Chem Lett 5: 1082-7 (2014)
Merck Research Laboratories
1,4-disubstituted-[1,2,3]triazolyl-containing analogues of MT-II: design, synthesis, conformational analysis, and biological activity.EBI
J Med Chem 57: 9424-34 (2014)
University Of Cergy-Pontoise
Identification of Novel Selective Lysine-Specific Demethylase 1 (LSD1) Inhibitors Using a Pharmacophore-Based Virtual Screening Combined with Docking.BDB
Chem Biol Drug Des 85: 659-71 (2015)
China Pharmaceutical University
Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO-B Inhibitors.BDB
Chem Biol Drug Des 85: 685-95 (2015)
Pontificia Universidad Catolica De Chile
Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.EBI
J Med Chem 57: 9578-97 (2014)
Universit£
Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.EBI
J Med Chem 57: 9480-94 (2014)
University Of Illinois At Chicago
Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models.EBI
J Med Chem 58: 401-18 (2015)
Genentech
Polyyne hybrid compounds from Notopterygium incisum with peroxisome proliferator-activated receptor gamma agonistic effects.EBI
J Nat Prod 77: 2513-21 (2014)
Karl-Franzens-University Graz
Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening.EBI
J Med Chem 57: 9028-41 (2014)
Chinese Academy Of Sciences
Recent advances in the development of acetyl-CoA carboxylase (ACC) inhibitors for the treatment of metabolic disease.EBI
J Med Chem 58: 525-36 (2015)
Amgen
Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.EBI
J Med Chem 57: 9598-611 (2014)
Translational Research Institute
Radiosynthesis and evaluation of an 18F-labeled positron emission tomography (PET) radioligand for metabotropic glutamate receptor subtype 4 (mGlu4).EBI
J Med Chem 57: 9130-8 (2014)
Massachusetts General Hospital
Synthesis, Molecular Modeling, and Biological Evaluation of Novel 1, 3-Diphenyl-2-propen-1-one Based Pyrazolines as Anti-inflammatory Agents.BDB
Chem Biol Drug Des 85: 729-42 (2015)
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz
Derivatives form better lipoxygenase inhibitors than piperine: in vitro and in silico study.BDB
Chem Biol Drug Des 85: 715-21 (2015)
Kannur University, Thalassery Campus
Design, synthesis and biological evaluation of metronidazole-thiazole derivatives as antibacterial inhibitors.EBI
Bioorg Med Chem Lett 24: 5279-83 (2014)
School Of Life Science Nanjing University
Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid transporter B(0)AT2.EBI
J Med Chem 57: 9473-9 (2014)
Max Planck Institute Of Psychiatry
Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.EBI
J Med Chem 57: 8792-816 (2014)
Vertex Pharmaceuticals
Discovery of a novel pyrazole series of group X secreted phospholipase A2 inhibitor (sPLA2X) via fragment based virtual screening.EBI
Bioorg Med Chem Lett 24: 5251-5 (2014)
Astrazeneca
Fragment-based screening of the bromodomain of ATAD2.EBI
J Med Chem 57: 9687-92 (2014)
Vanderbilt University School Of Medicine
Biased multicomponent reactions to develop novel bromodomain inhibitors.EBI
J Med Chem 57: 9019-27 (2014)
Dana-Farber Institute
Inhibitory activities of propolis and its promising component, caffeic acid phenethyl ester, against amyloidogenesis of human transthyretin.EBI
J Med Chem 57: 8928-35 (2014)
University Of Toyama
Discovery of novel, dual mechanism ERK inhibitors by affinity selection screening of an inactive kinase.EBI
J Med Chem 57: 8817-26 (2014)
Merck Research Laboratories
Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.EBI
Eur J Med Chem 87: 765-81 (2014)
Chinese Academy Of Sciences
Medicinal chemistry optimization of antiplasmodial imidazopyridazine hits from high throughput screening of a softfocus kinase library: part 2.EBI
J Med Chem 57: 8839-48 (2014)
University Of Cape Town
Synthesis of Deuterated Benzopyran Derivatives as Selective COX-2 Inhibitors with Improved Pharmacokinetic Properties.EBI
ACS Med Chem Lett 5: 1162-6 (2014)
Institutes Of Biomedicine And Health
Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.EBI
ACS Med Chem Lett 5: 1138-42 (2014)
Eli Lilly
Saralasin and Sarile Are AT2 Receptor Agonists.EBI
ACS Med Chem Lett 5: 1129-32 (2014)
Universit£
Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.EBI
ACS Med Chem Lett 5: 1119-23 (2014)
Dainippon Sumitomo Pharma
Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists.EBI
ACS Med Chem Lett 5: 1114-8 (2014)
Novartis Institutes For Biomedical Research
Development of a new benzophenone-diketopiperazine-type potent antimicrotubule agent possessing a 2-pyridine structure.EBI
ACS Med Chem Lett 5: 1094-8 (2014)
Tokyo University Of Pharmacy And Life Sciences
Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.EBI
ACS Med Chem Lett 5: 1088-93 (2014)
Abbvie
3-Cyano-3-aza-▀-amino Acid Derivatives as Inhibitors of Human Cysteine Cathepsins.EBI
ACS Med Chem Lett 5: 1076-81 (2014)
University Of Bonn
Improved antiproliferative activity of 1,3,4-thiadiazole-containing histone deacetylase (HDAC) inhibitors by introduction of the heteroaromatic surface recognition motif.EBI
Bioorg Med Chem 22: 5766-75 (2014)
Shandong University
Thieno[2,3-b]pyridines--a new class of multidrug resistance (MDR) modulators.EBI
Bioorg Med Chem 22: 5860-70 (2014)
Institute Of Organic Synthesis
Synthesis and highly potent hypolipidemic activity of alpha-asarone- and fibrate-based 2-acyl and 2-alkyl phenols as HMG-CoA reductase inhibitors.EBI
Bioorg Med Chem 22: 5871-82 (2014)
Instituto Polit£Cnico Nacional (Ipn)
Structural insights on carbonic anhydrase inhibitory action, isoform selectivity, and potency of sulfonamides and coumarins incorporating arylsulfonylureido groups.EBI
J Med Chem 57: 9152-67 (2014)
Universit£
Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition.EBI
J Med Chem 57: 8503-16 (2014)
Novartis Institutes For Biomedical Research
Design, synthesis and evaluation of benzo[a]thieno[3,2-g]quinolizines as novel l-SPD derivatives possessing dopamine D1, D2 and serotonin 5-HT1A multiple action profiles.EBI
Bioorg Med Chem 22: 5838-46 (2014)
Chinese Academy Of Sciences
Identification of the first inverse agonist of retinoid-related orphan receptor (ROR) with dual selectivity for ROR▀ and ROR┐t.EBI
Bioorg Med Chem Lett 24: 5265-7 (2014)
Phenex Pharmaceuticals
A perspective on targeting non-structural proteins to combat neglected tropical diseases: Dengue, West Nile and Chikungunya viruses.EBI
Eur J Med Chem 87: 677-702 (2014)
University Of Kwazulu-Natal
Implications of N-capped urea/thiourea and C-capped 3-(1-piperazinyl)-1,2-benzisothiazole with bridging Gly-Val/Phe-Gly-Val-Pro as therapeutic targets.EBI
Eur J Med Chem 87: 657-61 (2014)
University Of Mysore
Design and synthesis of Lapatinib derivatives containing a branched side chain as HER1/HER2 targeting antitumor drug candidates.EBI
Eur J Med Chem 87: 631-42 (2014)
Southeast University
┐-Hydroxyethyl piperidine iminosugar and N-alkylated derivatives: a study of their activity as glycosidase inhibitors and as immunosuppressive agents.EBI
Bioorg Med Chem 22: 5776-82 (2014)
University Of Pune
From the covalent linkage of drugs to novel inhibitors of ribonucleotide reductase: synthesis and biological evaluation of valproic esters of 3'-C-methyladenosine.EBI
Bioorg Med Chem Lett 24: 5304-9 (2014)
University Of Camerino
Vanillin-derived antiproliferative compounds influence Plk1 activity.EBI
Bioorg Med Chem Lett 24: 5063-9 (2014)
Johann-Wolfgang-Goethe University Of Frankfurt
Chemical synthesis, cytotoxicity, selectivity and bioavailability of 5?-androstane-3?,17?-diol derivatives.EBI
Bioorg Med Chem 22: 5847-59 (2014)
Universit£
Synthesis and evaluation of novel triazoles and mannich bases functionalized 1,4-dihydropyridine as angiotensin converting enzyme (ACE) inhibitors.EBI
Bioorg Med Chem 22: 5824-30 (2014)
Csir-Indian Institute Of Chemical Technology
Scaffold hopping approach on the route to selective tankyrase inhibitors.EBI
Eur J Med Chem 87: 611-23 (2014)
University Of Perugia
Two-pronged attack: dual inhibition of Plasmodium falciparum M1 and M17 metalloaminopeptidases by a novel series of hydroxamic acid-based inhibitors.EBI
J Med Chem 57: 9168-83 (2014)
Monash University
Plant-derived flavones as inhibitors of aurora B kinase and their quantitative structure-activity relationships.BDB
Chem Biol Drug Des 85: 574-85 (2015)
Konkuk University
Structure-activity relationship of highly potent galactonoamidine inhibitors toward ?-galactosidase (Aspergillus oryzae).EBI
J Med Chem 57: 8999-9009 (2014)
University Of Arkansas
Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases.EBI
Bioorg Med Chem Lett 24: 5310-4 (2014)
Heidelberg University
n-Alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching and siderophore biosynthetic enzyme PvdQ.BDB
Biochemistry 53: 6679-86 (2014)
The University Of Texas
Structure-guided design and development of novel benzimidazole class of compounds targeting DNA gyraseB enzyme of Staphylococcus aureus.EBI
Bioorg Med Chem 22: 5970-87 (2014)
Birla Institute Of Technology & Science-Pilani
Peptidomimetics of Arg-Phe-NH2 as small molecule agonists of Mas-related gene C (MrgC) receptors.EBI
Bioorg Med Chem 22: 5831-7 (2014)
Johns Hopkins University
Structure-activity relationships of the thujaplicins for inhibition of human tyrosinase.EBI
Bioorg Med Chem 22: 6193-200 (2014)
Institute For Theoretical Medicine
Human alpha1-adrenoceptor subtype selectivity of substituted homobivalent 4-aminoquinolines.EBI
Bioorg Med Chem 22: 5910-6 (2014)
Unsw Australia
2-Guanidinoquinazolines as new inhibitors of the STAT3 pathway.EBI
Bioorg Med Chem Lett 24: 5081-5 (2014)
University Of Pittsburgh
Bioavailable pyrrolo-benzo-1,4-diazines as Na(v)1.7 sodium channel blockers for the treatment of pain.EBI
Bioorg Med Chem Lett 24: 4958-62 (2014)
Merck Research Laboratory
An update on therapeutic opportunities offered by cancer glycolytic metabolism.EBI
Bioorg Med Chem Lett 24: 4915-25 (2014)
Universit£
Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists.EBI
J Med Chem 57: 8984-98 (2014)
Astrazeneca
Novel DNA gyrase inhibiting spiropyrimidinetriones with a benzisoxazole scaffold: SAR and in vivo characterization.EBI
J Med Chem 57: 9078-95 (2014)
Astrazeneca
Tritium-labelled isovaleryl-RYYRIK-NH2 as potential antagonist probe for ORL1 nociceptin receptor.EBI
Bioorg Med Chem 22: 5902-9 (2014)
Kyushu University
Design, synthesis, and structure-activity relationship of novel opioid┐ receptor selective agonists:a-iminoamide derivatives with an azabicyclo[2.2.2]octene skeleton.EBI
Bioorg Med Chem Lett 24: 4980-3 (2014)
Kitasato University
Repurposing human PDE4 inhibitors for neglected tropical diseases. Evaluation of analogs of the human PDE4 inhibitor GSK-256066 as inhibitors of PDEB1 of Trypanosoma brucei.BDB
Chem Biol Drug Des 85: 549-64 (2015)
Northeastern University
Design and optimization of novel 4-(2-fluorophenoxy)quinoline derivatives bearing a hydrazone moiety as c-Met kinase inhibitors.EBI
Eur J Med Chem 87: 508-18 (2014)
Key Laboratory Of Structure-Based Drug Design And Discovery (Shenyang Pharmaceutical University)
Piperazine and piperidine carboxamides and carbamates as inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL).EBI
Bioorg Med Chem 22: 6694-705 (2014)
University Of Eastern Finland
Design, synthesis and evaluation of novel tacrine-(▀-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease.EBI
Bioorg Med Chem 22: 6089-104 (2014)
China Pharmaceutical University
Development of benzo[d]oxazol-2(3H)-ones derivatives as novel inhibitors of Mycobacterium tuberculosis InhA.EBI
Bioorg Med Chem 22: 6134-45 (2014)
Birla Institute Of Technology
Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase.EBI
Bioorg Med Chem 22: 5988-6003 (2014)
University Of Latvia
Expanding the results of a high throughput screen against an isochorismate-pyruvate lyase to enzymes of a similar scaffold or mechanism.EBI
Bioorg Med Chem 22: 5961-9 (2014)
University Of Kansas
Discovery of substituted 6-pheny-3H-pyridazin-3-one derivatives as novel c-Met kinase inhibitors.EBI
Bioorg Med Chem Lett 24: 5093-7 (2014)
Sungkyunkwan University
Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease.EBI
Eur J Med Chem 87: 429-39 (2014)
Sun Yat-Sen University
Multidrug resistance (MDR) reversers: High activity and efficacy in a series of asymmetrical N,N-bis(alkanol)amine aryl esters.EBI
Eur J Med Chem 87: 398-412 (2014)
Universit£
Fluorinated analogues of marsanidine, a highly ?2-AR/imidazoline I1 binding site-selective hypotensive agent. Synthesis and biological activities.EBI
Eur J Med Chem 87: 386-97 (2014)
Medical University Of Gdansk
Synthesis and pharmacological evaluation of optically pure, novel carbonyl guanidine derivatives as dual 5-HT2B and 5-HT7 receptor antagonists.EBI
Bioorg Med Chem 22: 6026-38 (2014)
Astellas Pharma
DNA repair and redox activities and inhibitors of apurinic/apyrimidinic endonuclease 1/redox effector factor 1 (APE1/Ref-1): a comparative analysis and their scope and limitations toward anticancer drug development.EBI
J Med Chem 57: 10241-56 (2014)
Central University Of Punjab
Discovery of tetrahydroisoquinoline-based bivalent heterodimeric IAP antagonists.EBI
Bioorg Med Chem Lett 24: 5022-9 (2014)
Bristol-Myers Squibb Research & Development
Neuraminidase inhibitory activities of quaternary isoquinoline alkaloids from Corydalis turtschaninovii rhizome.EBI
Bioorg Med Chem 22: 6047-52 (2014)
Chungnam National University
Discovery of diamine-linked 17-aroylamido-17-demethoxygeldanamycins as potent Hsp90 inhibitors.EBI
Eur J Med Chem 87: 346-63 (2014)
Shandong University
Exemestane metabolites: Synthesis, stereochemical elucidation, biochemical activity and anti-proliferative effects in a hormone-dependent breast cancer cell line.EBI
Eur J Med Chem 87: 336-45 (2014)
University Of Coimbra
Synthesis and biological evaluation of a novel series of heterobivalent muscarinic ligands based on xanomeline and 1-[3-(4-butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1).EBI
J Med Chem 57: 9065-77 (2014)
Universit£
Discovery of potent and selective sirtuin 2 (SIRT2) inhibitors using a fragment-based approach.EBI
J Med Chem 57: 8340-57 (2014)
University Of Minnesota
CB2-selective cannabinoid receptor ligands: synthesis, pharmacological evaluation, and molecular modeling investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides.EBI
J Med Chem 57: 8777-91 (2014)
Universit£
Converting potent indeno[1,2-b]indole inhibitors of protein kinase CK2 into selective inhibitors of the breast cancer resistance protein ABCG2.EBI
J Med Chem 58: 265-77 (2015)
Bmssi Umr 5086 Cnrs/Universit£
Discovery of a potent and selective EGFR inhibitor (AZD9291) of both sensitizing and T790M resistance mutations that spares the wild type form of the receptor.EBI
J Med Chem 57: 8249-67 (2014)
Astrazeneca
Inhibition of cancer-associated mutant isocitrate dehydrogenases: synthesis, structure-activity relationship, and selective antitumor activity.EBI
J Med Chem 57: 8307-18 (2014)
Baylor College Of Medicine
Discovery of 4-aminoquinazoline--urea derivatives as Aurora kinase inhibitors with antiproliferative activity.EBI
Bioorg Med Chem 22: 5813-23 (2014)
Southeast University
Nonpeptide small molecule agonist and antagonist original leads for neuropeptide FF1 and FF2 receptors.EBI
J Med Chem 57: 8903-27 (2014)
The University Of Mississippi
How a▀-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.EBI
J Med Chem 57: 8563-75 (2014)
Consiglio Nazionale Delle Ricerche
Trehalose- and glucose-derived glycoamphiphiles: small-molecule and nanoparticle Toll-like receptor 4 (TLR4) modulators.EBI
J Med Chem 57: 9105-23 (2014)
University Of Sevilla
Design, synthesis and biological evaluation of novel 5-phenyl-1H-pyrazole derivatives as potential BRAF(V600E) inhibitors.EBI
Bioorg Med Chem 22: 6201-8 (2014)
Nanjing University
Inhibition of carbonic anhydrase isoforms I, II, IX and XII with novel Schiff bases: identification of selective inhibitors for the tumor-associated isoforms over the cytosolic ones.EBI
Bioorg Med Chem 22: 5883-90 (2014)
Universit£
Design, synthesis, and structure-activity relationships of a series of novel N-aryl-2-phenylcyclopropanecarboxamide that are potent and orally active orexin receptor antagonists.EBI
Bioorg Med Chem 22: 6071-88 (2014)
Eisai
Discovery of a 1,2-bis(3-indolyl)ethane that selectively inhibits the pyruvate kinase of methicillin-resistant Staphylococcus aureus over human isoforms.EBI
Bioorg Med Chem Lett 24: 5059-62 (2014)
University Of British Columbia
Discovery of pyridyl sulfonamide 11-beta-hydroxysteroid dehydrogenase type 1 (11▀-HSD1) inhibitors for the treatment of metabolic disorders.EBI
Bioorg Med Chem Lett 24: 5045-9 (2014)
Bristol-Myers Squibb
Ejection of structural zinc leads to inhibition of┐-butyrobetaine hydroxylase.EBI
Bioorg Med Chem Lett 24: 4954-7 (2014)
University Of Oxford
Potent cholesteryl ester transfer protein inhibitors of reduced lipophilicity: 1,1'-spiro-substituted hexahydrofuroquinoline derivatives.EBI
J Med Chem 57: 8766-76 (2014)
Boehringer Ingelheim Pharma
Targeting matrix metalloproteinases: exploring the dynamics of the s1' pocket in the design of selective, small molecule inhibitors.EBI
J Med Chem 57: 10205-19 (2014)
Universidad Ceu San Pablo
Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors.EBI
J Med Chem 57: 8590-607 (2014)
Centro De Investigaciones Biol�Gicas (Csic)
Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach.EBI
J Med Chem 57: 8886-902 (2014)
Takeda Pharmaceutical
Synthesis of oleanolic acid derivatives: In vitro, in vivo and in silico studies for PTP-1B inhibition.EBI
Eur J Med Chem 87: 316-27 (2014)
Universidad Aut£Noma Del Estado De Morelos
Indoleamine 2,3-dioxygenase inhibitors: potential treatment for cancer, sepsis, and more.EBI
ACS Med Chem Lett 5: 958-60 (2014)
Therachem Research Medilab (India)
Modulators of GPR40 as Treatment for Diabetes.EBI
ACS Med Chem Lett 5: 954-5 (2014)
Therachem Research Medilab (India)
Discovery of potent and selective GIRK1/2 modulators via 'molecular switches' within a series of 1-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)ureas.EBI
Bioorg Med Chem Lett 24: 5102-6 (2014)
Northwest A&F University
Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.EBI
Bioorg Med Chem 22: 6256-69 (2014)
Astrazeneca
Design, synthesis and biological activity of flavonoid derivatives as selective agonists for neuromedin U 2 receptor.EBI
Bioorg Med Chem 22: 6117-23 (2014)
East China Normal University
2-(2-Bromophenyl)-formononetin and 2-heptyl-formononetin are PPAR┐ partial agonists and reduce lipid accumulation in 3T3-L1 adipocytes.EBI
Bioorg Med Chem 22: 6105-11 (2014)
University Of Copenhagen
Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines.EBI
Bioorg Med Chem Lett 24: 4969-75 (2014)
Hoffmann-La Roche
Synthesis and evaluation of benzimidazole carbamates bearing indole moieties for antiproliferative and antitubulin activities.EBI
Eur J Med Chem 87: 306-15 (2014)
Shenyang Pharmaceutical University
Pyrazole derivatives as potent inhibitors of c-Jun N-terminal kinase: synthesis and SAR studies.EBI
Bioorg Med Chem 22: 6209-19 (2014)
Kakatiya University
Effect of dehydroepiandrosterone derivatives on the activity of 5a-reductase isoenzymes and on cancer cell line PC-3.EBI
Bioorg Med Chem 22: 6233-41 (2014)
National University Of Mexico
Design, synthesis and biological evaluation of 4-anilinothieno[2,3-d]pyrimidine-based hydroxamic acid derivatives as novel histone deacetylase inhibitors.EBI
Bioorg Med Chem 22: 6146-55 (2014)
The Walter And Eliza Hall Institute Of Medical Research
Structure-affinity/activity relationships of 1,4-dioxa-spiro[4.5]decane based ligands ata<alpha>1 and 5-HT1A receptors.EBI
Eur J Med Chem 87: 248-66 (2014)
Universit£
Design, synthesis and pharmacological evaluation of chalcone derivatives as acetylcholinesterase inhibitors.EBI
Bioorg Med Chem 22: 6124-33 (2014)
Hu'Nan University
Development of 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as microsomal prostaglandin E(2) synthase-1 inhibitors.EBI
Bioorg Med Chem Lett 24: 4838-44 (2014)
Glenmark Pharmaceuticals
Potent heterocyclic ligands for human complement c3a receptor.EBI
J Med Chem 57: 8459-70 (2014)
The University Of Queensland
Multitarget drug design strategy: quinone-tacrine hybrids designed to block amyloid-▀ aggregation and to exert anticholinesterase and antioxidant effects.EBI
J Med Chem 57: 8576-89 (2014)
Alma Mater Studiorum-University Of Bologna
Structural basis for inhibition of mycobacterial and human adenosine kinase by 7-substituted 7-(Het)aryl-7-deazaadenine ribonucleosides.EBI
J Med Chem 57: 8268-79 (2014)
Academy Of Sciences Of The Czech Republic
Metabolic stability optimization and metabolite identification of 2,5-thiophene amide 17▀-hydroxysteroid dehydrogenase type 2 inhibitors.EBI
Eur J Med Chem 87: 203-19 (2014)
Saarland University
Active compounds from a diverse library of triazolothiadiazole and triazolothiadiazine scaffolds: synthesis, crystal structure determination, cytotoxicity, cholinesterase inhibitory activity, and binding mode analysis.EBI
Bioorg Med Chem 22: 6163-73 (2014)
Quaid-I-Azam University
Novel sulfonamides bearing pyrrole and pyrrolopyrimidine moieties as carbonic anhydrase inhibitors: Synthesis, cytotoxic activity and molecular modeling.EBI
Eur J Med Chem 87: 186-96 (2014)
King Saud University
Design, synthesis, in silico molecular docking and biological evaluation of novel oxadiazole based thiazolidine-2,4-diones bis-heterocycles as PPAR-┐ agonists.EBI
Eur J Med Chem 87: 175-85 (2014)
Jamia Hamdard (Hamdard University)
Discovery of N-substituted oseltamivir derivatives as potent and selective inhibitors of H5N1 influenza neuraminidase.EBI
J Med Chem 57: 8445-58 (2014)
Shandong University
Total synthesis and antibacterial testing of the A54556 cyclic acyldepsipeptides isolated from Streptomyces hawaiiensis.EBI
J Nat Prod 77: 2170-81 (2014)
University Of Toronto
Discovery and characterization of MAPK-activated protein kinase-2 prevention of activation inhibitors.EBI
J Med Chem 58: 278-93 (2015)
Astrazeneca
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.EBI
J Med Chem 57: 8035-55 (2014)
Goethe-University Frankfurt
Optimized protein kinase C┐ (PKC┐) inhibitors reveal only modest anti-inflammatory efficacy in a rodent model of arthritis.EBI
J Med Chem 58: 333-46 (2015)
Abbvie Bioresearch Center
Discovery of 2-[5-(4-Fluorophenylcarbamoyl)pyridin-2-ylsulfanylmethyl]phenylboronic Acid (SX-517): Noncompetitive Boronic Acid Antagonist of CXCR1 and CXCR2.EBI
J Med Chem 57: 8378-97 (2014)
Syntrix Biosystems
Binding modes of reverse fosmidomycin analogs toward the antimalarial target IspC.EBI
J Med Chem 57: 8827-38 (2014)
Heinrich Heine Universit£T
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