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N-Glucosides as human sodium-dependent glucose cotransporter 2 (hSGLT2) inhibitors.EBI
Bioorg Med Chem Lett 23: 5641-5 (2013)
Mitsubishi Tanabe Pharma
Design and synthesis of MMP inhibitors with appended fluorescent tags for imaging and visualization of matrix metalloproteinase enzymes.EBI
Bioorg Med Chem Lett 23: 5566-70 (2013)
Mallinckrodt Pharmaceuticals
Design, synthesis, and biological evaluation of novel 3-pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives as potent receptor tyrosine kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 5630-3 (2013)
Nanjing University Of Technology
Thienopyrimidine bisphosphonate (ThPBP) inhibitors of the human farnesyl pyrophosphate synthase: optimization and characterization of the mode of inhibition.EBI
J Med Chem 56: 7939-50 (2013)
Mcgill University
Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from EBI
Medchemcomm 3: 976-981 (2012)
University Of Wisconsin-Milwaukee
Chemopreventive and antioxidant activity of 6-substituted imidazo[2,1-b]thiazoles.EBI
Eur J Med Chem 68: 412-21 (2013)
Universit£
Design, synthesis and evaluation of 7-azaindazolyl-indolyl-maleimides as glycogen synthase kinase-3▀ (GSK-3▀) inhibitors.EBI
Eur J Med Chem 68: 361-71 (2013)
Zhejiang University
6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: a new scaffold endowed with potent CDK2 inhibitory activity.EBI
Eur J Med Chem 68: 333-8 (2013)
Universit£
Highly potent dipeptidyl peptidase IV inhibitors derived from Alogliptin through pharmacophore hybridization and lead optimization.EBI
Eur J Med Chem 68: 312-20 (2013)
First Affiliated Hospital Of Guangzhou Medical University
Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics.EBI
Bioorg Med Chem Lett 23: 5721-6 (2013)
University Of Zurich
Hydroxyquinoline-derived compounds and analoguing of selective Mcl-1 inhibitors using a functional biomarker.EBI
Bioorg Med Chem 21: 6642-9 (2013)
Eutropics Pharmaceuticals
Novel BACE1 inhibitors with a non-acidic heterocycle at the P1' position.EBI
Bioorg Med Chem 21: 6665-73 (2013)
Kyoto Pharmaceutical University
Synthesis and evaluation of novel azetidine analogs as potent inhibitors of vesicular [3H]dopamine uptake.EBI
Bioorg Med Chem 21: 6771-7 (2013)
University Of Kentucky
Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists.EBI
Bioorg Med Chem Lett 23: 5684-8 (2013)
Bristol-Myers Squibb
3-Ylidenephthalides as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators.EBI
Bioorg Med Chem Lett 23: 5614-8 (2013)
Sapienza University Of Rome
Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.EBI
Bioorg Med Chem Lett 23: 5674-9 (2013)
Northwestern University
Syntheses, biological evaluation and SAR of ingenol mebutate analogues for treatment of actinic keratosis and non-melanoma skin cancer.EBI
Bioorg Med Chem Lett 23: 5624-9 (2013)
Leo Pharma
Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII.EBI
Bioorg Med Chem Lett 23: 5646-9 (2013)
University Of Florida
Synthesis and biological evaluation of 2-amino-5-aryl-3-benzylthiopyridine scaffold based potent c-Met inhibitors.EBI
Bioorg Med Chem 21: 6804-20 (2013)
Chinese Academy Of Sciences
Emerging technologies for metabolite generation and structural diversification.EBI
Bioorg Med Chem Lett 23: 5471-83 (2013)
Abbvie Bioresearch Center
Studies toward the development of new silicon-containing building blocks for the direct (18)F-labeling of peptides.EBI
J Med Chem 56: 7552-63 (2013)
Institute Of Technology (Eth) Zurich
Synthesis and structure-activity relationship (SAR) of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters, a class of potent N-acylethanolamine acid amidase (NAAA) inhibitors.EBI
J Med Chem 56: 6917-34 (2013)
Istituto Italiano Di Tecnologia
Synthesis and enzymatic evaluation of phosphoramidon and its▀ anomer: Anomerization ofa-l-rhamnose triacetate upon phosphitylation.EBI
Bioorg Med Chem 21: 6778-87 (2013)
Jiangxi Science And Technology Normal University
Design, synthesis, docking study and biological evaluation of some novel tetrahydrochromeno [3',4':5,6]pyrano[2,3-b]quinolin-6(7H)-one derivatives against acetyl- and butyrylcholinesterase.EBI
Eur J Med Chem 68: 291-300 (2013)
Tehran University Of Medical Sciences
Design, synthesis, biological evaluation and docking study of 5-oxo-4,5-dihydropyrano[3,2-c]chromene derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors.EBI
Eur J Med Chem 68: 260-9 (2013)
Tehran University Of Medical Sciences
Phosphodiesterase inhibitors. Part 6: design, synthesis, and structure-activity relationships of PDE4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory activity.EBI
Bioorg Med Chem Lett 23: 5311-6 (2013)
Kyorin Pharmaceutical
Long-lasting inhibition of EGFR autophosphorylation in A549 tumor cells by intracellular accumulation of non-covalent inhibitors.EBI
Bioorg Med Chem Lett 23: 5290-4 (2013)
Universit£
Systematic replacement of amides by 1,4-disubstituted[1,2,3]triazoles in Leu-enkephalin and the impact on the delta opioid receptor activity.EBI
Bioorg Med Chem Lett 23: 5267-9 (2013)
Universit£
Modulation of aldose reductase inhibition by halogen bond tuning.BDB
ACS Chem Biol 8: 2484-92 (2013)
Academy Of Sciences Of The Czech Republic
Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction.EBI
Bioorg Med Chem 21: 5963-72 (2013)
University Of Southern California
Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.EBI
J Med Chem 56: 7615-24 (2013)
Ume£
N-substituted 8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes ass receptor ligands with potential neuroprotective effects.EBI
Bioorg Med Chem 21: 6038-52 (2013)
The University Of Sydney
Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective▀-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid▀-peptides.EBI
Bioorg Med Chem Lett 23: 5300-6 (2013)
Novartis Pharma
Synthesis and biological analysis of benzazol-2-yl piperazine sulfonamides as 11▀-hydroxysteroid dehydrogenase 1 inhibitors.EBI
Bioorg Med Chem Lett 23: 5397-400 (2013)
Leopold-Franzens-Universit£T
The carbonate analogues of 5'-halogenated resiniferatoxin as TRPV1 ligands.EBI
Eur J Med Chem 68: 233-43 (2013)
Seoul National University
Synthesis, resolution, and biological evaluation of atropisomeric (aR)- and (aS)-16-methyllamellarins N: unique effects of the axial chirality on the selectivity of protein kinases inhibition.EBI
J Med Chem 56: 7289-301 (2013)
Nagasaki University
Spirolactam-based acetyl-CoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure.EBI
J Med Chem 56: 7110-9 (2013)
Pfizer
Investigation of an F-18 oxytocin receptor selective ligand via PET imaging.EBI
Bioorg Med Chem Lett 23: 5415-20 (2013)
Emory University
Design and synthesis of novel 3-substituted-indole derivatives as selective H3 receptor antagonists and potent free radical scavengers.EBI
Bioorg Med Chem 21: 5936-44 (2013)
Zhejiang University
N-Methylanilide and N-methylbenzamide derivatives as phosphodiesterase 10A (PDE10A) inhibitors.EBI
Bioorg Med Chem 21: 6053-62 (2013)
H. Lundbeck
Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.BDB
ACS Chem Biol 8: 2501-8 (2013)
Rutgers University
Inhibition of hypoxia-inducible factor prolyl hydroxylase domain oxygen sensors: tricking the body into mounting orchestrated survival and repair responses.EBI
J Med Chem 56: 9369-402 (2014)
Janssen Research And Development
Optimization of Arylamides as Novel, Potent and Brain-penetrant Antiprion Lead Compounds.EBI
ACS Med Chem Lett 4: 647-650 (2013)
University Of California
Synthesis, molecular docking and kinetic properties of ?-hydroxy-?-phenylpropionyl-hydroxamic acids as Helicobacter pylori urease inhibitors.EBI
Eur J Med Chem 68: 212-21 (2013)
Jishou University
Hybrid peptides endomorphin-2/DAMGO: design, synthesis and biological evaluation.EBI
Eur J Med Chem 68: 167-77 (2013)
Universit£
2,3,9- and 2,3,11-trisubstituted tetrahydroprotoberberines as D2 dopaminergic ligands.EBI
Eur J Med Chem 68: 150-66 (2013)
Universidad De Valencia
Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data.EBI
Eur J Med Chem 68: 139-49 (2013)
Universit£
Substrate-based peptidomimetic inhibitors of the Murray Valley encephalitis virus NS2B/NS3 serine protease: a P1-P4 SAR study.EBI
Eur J Med Chem 68: 72-80 (2013)
Agency For Science, Technology And Research (A*Star)
Fragment-based discovery of focal adhesion kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 5401-9 (2013)
Merck
Four-membered heterocycles-containing 4-anilino-quinazoline derivatives as epidermal growth factor receptor (EGFR) kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 5385-8 (2013)
Fudan University
Novel tetrahydropyran analogs as dipeptidyl peptidase IV inhibitors: profile of clinical candidate (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine (23).EBI
Bioorg Med Chem Lett 23: 5361-6 (2013)
Merck Research Laboratories
Novel hydroxyl tricyclics (e.g., GSK966587) as potent inhibitors of bacterial type IIA topoisomerases.EBI
Bioorg Med Chem Lett 23: 5437-41 (2013)
Glaxosmithkline
Design, synthesis and biological evaluation of novel mansonone E derivatives prepared via CuAAC click chemistry as topoisomerase II inhibitors.EBI
Eur J Med Chem 68: 58-71 (2013)
Sun Yat-Sen University
New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.EBI
J Med Chem 56: 7431-41 (2013)
Sapienza University Of Rome
Inhibiting aberrant signal transducer and activator of transcription protein activation with tetrapodal, small molecule Src homology 2 domain binders: promising agents against multiple myeloma.EBI
J Med Chem 56: 7190-200 (2013)
University Of Toronto Mississauga
Design, synthesis, and characterization of novel tetrahydropyran-based bacterial topoisomerase inhibitors with potent anti-gram-positive activity.EBI
J Med Chem 56: 7396-415 (2013)
Actelion Pharmaceuticals
Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety.EBI
Bioorg Med Chem 21: 5973-82 (2013)
Birla Institute Of Technology
Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series.EBI
J Med Chem 56: 6803-18 (2013)
Memorial Sloan-Kettering Cancer Center
Anti-inflammatory effects of extracellular cyclosporins are exclusively mediated by CD147.EBI
J Med Chem 56: 7302-11 (2013)
Max Planck Research Unit For Enzymology Of Protein Folding
Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the HDAC6 isoform.EBI
J Med Chem 56: 7201-11 (2013)
Millennium Pharmaceuticals
Structure of thes1 receptor and its ligand binding site.EBI
J Med Chem 56: 9809-19 (2013)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Westf£Lischen Wilhelms-Universit£T M£Nster
Identification of a novel series of orexin receptor antagonists with a distinct effect on sleep architecture for the treatment of insomnia.EBI
J Med Chem 56: 7590-607 (2013)
Novartis Institutes For Biomedical Research
Identification of the KDM2/7 histone lysine demethylase subfamily inhibitor and its antiproliferative activity.EBI
J Med Chem 56: 7222-31 (2013)
Kyoto Prefectural University Of Medicine
Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).EBI
J Med Chem 56: 7343-57 (2013)
Bristol-Myers Squibb
Discovery of novel 4-anilinoquinazoline derivatives as potent inhibitors of epidermal growth factor receptor with antitumor activity.EBI
Bioorg Med Chem 21: 6084-91 (2013)
Soochow University
Identification and optimization of pteridinone Toll-like receptor 7 (TLR7) agonists for the oral treatment of viral hepatitis.EBI
J Med Chem 56: 7324-33 (2013)
Gilead Sciences
FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas.BDB
J Biol Chem 288: 29105-14 (2013)
The Scripps Research Institute
Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.EBI
Bioorg Med Chem 21: 5983-94 (2013)
Takeda Pharmaceutical
Identification of cryptotanshinone as an inhibitor of oncogenic protein tyrosine phosphatase SHP2 (PTPN11).EBI
J Med Chem 56: 7212-21 (2013)
Case Western Reserve University
Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation.BDB
Chem Biol Drug Des 83: 154-66 (2014)
Nirma University
Antioxidant, a-glucosidase and xanthine oxidase inhibitory activity of bioactive compounds from maize (Zea mays L.).BDB
Chem Biol Drug Des 83: 119-25 (2014)
Srtm University
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.EBI
Toxicol Sci 136: 216-41 (2013)
Amgen
Pre-existent asymmetry in the human cyclooxygenase-2 sequence homodimer.BDB
J Biol Chem 288: 28641-55 (2013)
University Of Michigan Medical School
?2-Adrenoceptor agonists in the regulation of mitochondrial biogenesis.EBI
Bioorg Med Chem Lett 23: 5376-81 (2013)
Medical University Of South Carolina
Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2.EBI
Bioorg Med Chem 21: 6022-37 (2013)
Purdue University
Design and synthesis of (4E)-4-(4-substitutedbenzylideneamino)-3-substituted-2,3-dihydro-2-thioxothiazole-5-carbonitrile as novel A2A receptor antagonists.EBI
Bioorg Med Chem 21: 6077-83 (2013)
University Of Delhi
Identification of potent, selective, CNS-targeted inverse agonists of the ghrelin receptor.EBI
Bioorg Med Chem Lett 23: 5410-4 (2013)
Pfizer
Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists.EBI
Bioorg Med Chem Lett 23: 5442-7 (2013)
Ironwood Pharmaceuticals
Testing the substrate-envelope hypothesis with designed pairs of compounds.BDB
ACS Chem Biol 8: 2433-41 (2013)
Massachusetts Institute Of Technology
Structure activity relationship studies of 17-cyclopropylmethyl-3,14?-dihydroxy-4,5?-epoxy-6?-(isoquinoline-3'-carboxamido)morphinan (NAQ) analogues as potent opioid receptor ligands: preliminary results on the role of electronic characteristics for affinity and function.EBI
Bioorg Med Chem Lett 23: 5045-8 (2013)
Virginia Commonwealth University
Dihydrothiazolopyridone derivatives as a novel family of positive allosteric modulators of the metabotropic glutamate 5 (mGlu5) receptor.EBI
J Med Chem 56: 7243-59 (2013)
Janssen Pharmaceutica
Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.EBI
J Med Chem 56: 6696-708 (2013)
California Nanosystems Institute
Highly potent HIV-1 protease inhibitors with novel tricyclic P2 ligands: design, synthesis, and protein-ligand X-ray studies.EBI
J Med Chem 56: 6792-802 (2013)
Purdue University
Lessons from (S)-6-(1-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)quinoline (PF-04254644), an inhibitor of receptor tyrosine kinase c-Met with high protein kinase selectivity but broad phosphodiesterase family inhibition leading to myocardial degeneration in rats.EBI
J Med Chem 56: 6651-65 (2013)
Pfizer
Discovery of selective small molecule type III phosphatidylinositol 4-kinase alpha (PI4KIIIa) inhibitors as anti hepatitis C (HCV) agents.EBI
J Med Chem 57: 2091-106 (2014)
Glaxosmithkline
The first synthesis of natural disulfide bruguiesulfurol and biological evaluation of its derivatives as a novel scaffold for PTP1B inhibitors.EBI
Bioorg Med Chem Lett 23: 5061-5 (2013)
Chinese Academy Of Sciences
KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space.EBI
J Med Chem 57: 249-77 (2014)
Vu University Amsterdam
Casuarinines A-J, lycodine-type alkaloids from Lycopodiastrum casuarinoides.EBI
J Nat Prod 76: 1475-84 (2013)
Fudan University
Substituted tetrahydroisoquinolines as selective antagonists for the orexin 1 receptor.EBI
J Med Chem 56: 6901-16 (2013)
Research Triangle Institute
Nicotinamide adenine dinucleotide-induced multimerization of the co-repressor CtBP1 relies on a switching tryptophan.BDB
J Biol Chem 288: 27836-48 (2013)
Oregon Health And Science University
Synthesis and biological evaluation of novel benzyl-substituted (S)-phenylalanine derivatives as potent dipeptidyl peptidase 4 inhibitors.EBI
Bioorg Med Chem 21: 5679-87 (2013)
Zhejiang University
Synthesis, enzyme kinetics and computational evaluation of N-(▀-D-glucopyranosyl) oxadiazolecarboxamides as glycogen phosphorylase inhibitors.EBI
Bioorg Med Chem 21: 5738-47 (2013)
University Of Debrecen
Discovery of N-(2,3,5-triazoyl)mycophenolic amide and mycophenolic epoxyketone as novel inhibitors of human IMPDH.EBI
Bioorg Med Chem Lett 23: 5140-4 (2013)
Hokkaido University
Selectivity data: assessment, predictions, concordance, and implications.EBI
J Med Chem 56: 6991-7002 (2013)
Eli Lilly
Specialization among iron-sulfur cluster helicases to resolve G-quadruplex DNA structures that threaten genomic stability.BDB
J Biol Chem 288: 28217-29 (2013)
National Institutes Of Health, National Institutes Of Health Biomedical Research Center
Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.BDB
J Biol Chem 288: 28195-206 (2013)
Glaxosmithkline
Synthesis, biological evaluation and molecular docking studies of pyrazole derivatives coupling with a thiourea moiety as novel CDKs inhibitors.EBI
Eur J Med Chem 68: 1-9 (2013)
Nanjing University
Octahydropyrrolo[3,4-c]pyrrole negative allosteric modulators of mGlu1.EBI
Bioorg Med Chem Lett 23: 5091-6 (2013)
Vanderbilt University Medical Center
A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective mTOR inhibitors.EBI
Bioorg Med Chem Lett 23: 5097-104 (2013)
Genentech
N-terminal guanidinylation of TIPP (Tyr-Tic-Phe-Phe) peptides results in major changes of the opioid activity profile.EBI
Bioorg Med Chem Lett 23: 5082-5 (2013)
Clinical Research Institute Of Montreal
Synthesis and biological evaluation of berberine-thiophenyl hybrids as multi-functional agents: Inhibition of acetylcholinesterase, butyrylcholinesterase, and A▀ aggregation and antioxidant activity.EBI
Bioorg Med Chem 21: 5830-40 (2013)
Sun Yat-Sen University
Chrysophaentins are competitive inhibitors of FtsZ and inhibit Z-ring formation in live bacteria.EBI
Bioorg Med Chem 21: 5673-8 (2013)
National Institute Of Diabetes And Digestive And Kidney Diseases
Structure- and reactivity-based development of covalent inhibitors of the activating and gatekeeper mutant forms of the epidermal growth factor receptor (EGFR).EBI
J Med Chem 56: 7025-48 (2013)
Astrazeneca
SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.EBI
ACS Med Chem Lett 4: 517-521 (2013)
University Of Texas Southwestern Medical Center
VKORC1L1, an enzyme rescuing the vitamin K 2,3-epoxide reductase activity in some extrahepatic tissues during anticoagulation therapy.BDB
J Biol Chem 288: 28733-42 (2013)
Institut National De Recherche Agronomique (Inra)-Vetagro Sup, Veterinary School Of Lyon
Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists.EBI
Bioorg Med Chem 21: 5725-37 (2013)
Takeda Pharmaceutical
Potential neuroprotective flavonoid-based inhibitors of CDK5/p25 from Rhus parviflora.EBI
Bioorg Med Chem Lett 23: 5150-4 (2013)
Kyung Hee University
Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.EBI
Bioorg Med Chem Lett 23: 5239-43 (2013)
Bristol-Myers Squibb Research & Development
Design, synthesis, and in vitro hMAO-B inhibitory evaluation of some 1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazoles.EBI
Bioorg Med Chem Lett 23: 5128-30 (2013)
Universit£
Cell-based medicinal chemistry optimization of high-throughput screening (HTS) hits for orally active antimalarials. Part 1: challenges in potency and absorption, distribution, metabolism, excretion/pharmacokinetics (ADME/PK).EBI
J Med Chem 56: 7741-9 (2013)
Calibr
Development of Mycobacterium tuberculosis whole cell screening hits as potential antituberculosis agents.EBI
J Med Chem 56: 7755-60 (2013)
Global Alliance For Tb Drug Development (Tb Alliance)
Cell-based medicinal chemistry optimization of high throughput screening hits for orally active antimalarials. Part 2: hits from SoftFocus kinase and other libraries.EBI
J Med Chem 56: 7750-4 (2013)
University Of Cape Town
Screen of pseudopeptidic inhibitors of human sirtuins 1-3: two lead compounds with antiproliferative effects in cancer cells.EBI
J Med Chem 56: 6681-95 (2013)
University Of Eastern Finland
Synthesis of imine-pyrazolopyrimidinones and their mechanistic interventions on anticancer activity.EBI
Bioorg Med Chem 21: 5782-93 (2013)
National Institute Of Pharmaceutical Education And Research
Metallo-?-lactamase inhibitory activity of 3-alkyloxy and 3-amino phthalic acid derivatives and their combination effect with carbapenem.EBI
Bioorg Med Chem 21: 5841-50 (2013)
Meiji Seika Pharma
Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.EBI
Bioorg Med Chem 21: 5707-24 (2013)
The Institute Of Cancer Research
Discovery of highly potent and selective D4 ligands by interactive SAR study.EBI
Bioorg Med Chem Lett 23: 5077-81 (2013)
German University In Cairo
Identification of quinazolinyloxy biaryl urea as a new class of SUMO activating enzyme 1 inhibitors.EBI
Bioorg Med Chem Lett 23: 5145-9 (2013)
Riken
Ligand-protein interactions of selective casein kinase 1d inhibitors.EBI
J Med Chem 56: 6819-28 (2013)
Pfizer
Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence.EBI
J Med Chem 56: 6761-74 (2013)
Helmholtz-Institute For Pharmaceutical Research Saarland
Polypharmacology - foe or friend?EBI
J Med Chem 56: 8955-71 (2013)
F. Hoffmann-La Roche
Novel 1H-pyrrolo[2,3-b]pyridine derivative nortopsentin analogues: synthesis and antitumor activity in peritoneal mesothelioma experimental models.EBI
J Med Chem 56: 7060-72 (2013)
Universit£
Development of fragment-based n-FABS NMR screening applied to the membrane enzyme FAAH.BDB
Chembiochem 14: 1611-9 (2013)
Fondazione Istituto Italiano Di Tecnologia
Inhibitors of switch kinase 'spleen tyrosine kinase' in inflammation and immune-mediated disorders: a review.EBI
Eur J Med Chem 67: 434-46 (2013)
Punjabi University
Synthesis and structure-activity relationships of novel indazolyl glucocorticoid receptor partial agonists.EBI
Bioorg Med Chem Lett 23: 5448-51 (2013)
Bristol-Myers Squibb
Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.EBI
Bioorg Med Chem Lett 23: 5217-22 (2013)
Activx Biosciences
Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators.EBI
Bioorg Med Chem Lett 23: 5195-8 (2013)
Vanderbilt University
Discovery and SAR of 5-aminooctahydrocyclopentapyrrole-3a-carboxamides as potent CCR2 antagonists.EBI
Bioorg Med Chem Lett 24: 1239-42 (2014)
Janssen Research And Development
The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method.EBI
Bioorg Med Chem Lett 23: 5155-64 (2013)
Chungnam National University
Novel selective inhibitors of aminopeptidases that generate antigenic peptides.EBI
Bioorg Med Chem Lett 23: 4832-6 (2013)
University Of California San Diego
Investigation of acyclic uridine amide and 5'-amido nucleoside analogues as potential inhibitors of the Plasmodium falciparum dUTPase.EBI
Bioorg Med Chem 21: 5876-85 (2013)
University Of Dundee
Inhibition of mammalian carbonic anhydrases I-XIV with grayanotoxin III: solution and in silico studies.BDB
J Enzyme Inhib Med Chem 29: 469-75 (2014)
University Of Calgary
Rotenoids from Boerhaavia diffusa as potential anti-inflammatory agents.EBI
J Nat Prod 76: 1393-8 (2013)
National Institute Of Pharmaceutical Education And Research-Niper
Synthesis, structure, and antibiotic activity of aryl-substituted LpxC inhibitors.EBI
J Med Chem 56: 6954-6966 (2013)
Duke University
Discovery and characterization of carbamothioylacrylamides as EPEBI
ACS Med Chem Lett 4: 616-621 (2013)
Emory University
Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.EBI
ACS Med Chem Lett 4: 601-605 (2013)
Vanderbilt University School Of Medicine
Modular construction of quaternary hemiaminal-based inhibitor candidates and their in cellulo assessment with HIV-1 protease.EBI
Bioorg Med Chem 21: 5407-13 (2013)
Universit£
PIF-pocket as a target for C. albicans Pkh selective inhibitors.BDB
ACS Chem Biol 8: 2283-92 (2013)
Universit£Tsklinikum Frankfurt
Synthesis of novel acridine and bis acridine sulfonamides with effective inhibitory activity against the cytosolic carbonic anhydrase isoforms II and VII.EBI
Bioorg Med Chem 21: 5799-805 (2013)
Dumlup?Nar University
Adipogenetic effects of retrofractamide A derivatives in 3T3-L1 cells.EBI
Bioorg Med Chem Lett 23: 4813-6 (2013)
Kyoto Pharmaceutical University
Synthesis and evaluation of a 125I-labeled iminodihydroquinoline-derived tracer for imaging of voltage-gated sodium channels.EBI
Bioorg Med Chem Lett 23: 5170-3 (2013)
Institute Of Nuclear Medicine
Structure-activity relationships and pharmacophore model of a noncompetitive pyrazoline containing class of GluN2C/GluN2D selective antagonists.EBI
J Med Chem 56: 6434-56 (2013)
Emory University
Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents.EBI
Bioorg Med Chem Lett 23: 4790-3 (2013)
Translational Drug Development
Discovery of a selective kinase inhibitor (TAK-632) targeting pan-RAF inhibition: design, synthesis, and biological evaluation of C-7-substituted 1,3-benzothiazole derivatives.EBI
J Med Chem 56: 6478-94 (2013)
Takeda Pharmaceutical
Quinazolin-4-one derivatives as selective histone deacetylase-6 inhibitors for the treatment of Alzheimer's disease.EBI
J Med Chem 56: 6775-91 (2013)
National Taiwan University
Peripherally restricted CB1 receptor blockers.EBI
Bioorg Med Chem Lett 23: 4751-60 (2013)
Jenrin Discovery
6-methoxy-7-benzofuranoxy and 6-methoxy-7-indolyloxy analogues of 2-[2-(2,6-Dimethoxyphenoxy)ethyl]aminomethyl-1,4-benzodioxane (WB4101):1 discovery of a potent and selective ?1D-adrenoceptor antagonist.EBI
J Med Chem 56: 6402-12 (2013)
Universit£
Quinazoline-based multi-tyrosine kinase inhibitors: synthesis, modeling, antitumor and antiangiogenic properties.EBI
Eur J Med Chem 67: 373-83 (2013)
University Of Padova
Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor.BDB
ACS Chem Biol 8: 2145-50 (2013)
Massachusetts General Hospital And Harvard Medical School
Binding of (5S)-penicilloic acid to penicillin binding protein 3.BDB
ACS Chem Biol 8: 2112-6 (2013)
University Of Oxford
Antithrombotic effects of LB30870, a potent, orally active, selective and direct thrombin inhibitor, and pharmacokinetics of its prodrug.EBI
Bioorg Med Chem Lett 23: 4779-84 (2013)
Lg Life Sciences
Truncation of the peptide sequence in bifunctional ligands with mu and delta opioid receptor agonist and neurokinin 1 receptor antagonist activities.EBI
Bioorg Med Chem Lett 23: 4975-8 (2013)
University Of Arizona
Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).EBI
Bioorg Med Chem Lett 23: 4875-85 (2013)
Genentech
Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283.EBI
J Med Chem 56: 7015-24 (2013)
Astrazeneca
Inverse 1,2,3-triazole-1-yl-ethyl substituted hydroxamates as highly potent matrix metalloproteinase inhibitors: (radio)synthesis, in vitro and first in vivo evaluation.EBI
J Med Chem 56: 6858-70 (2013)
University Hospital M£Nster
Exquisite selectivity for human toll-like receptor 8 in substituted furo[2,3-c]quinolines.EBI
J Med Chem 56: 6871-85 (2013)
University Of Kansas
Resistance by allostery: a novel perspective for eg5-targeted drug design.EBI
J Med Chem 56: 6314-6 (2013)
Korea Institute Of Science And Technology
Histone deacetylase (HDAC) inhibitor kinetic rate constants correlate with cellular histone acetylation but not transcription and cell viability.BDB
J Biol Chem 288: 26926-43 (2013)
Genentech
Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents.EBI
Bioorg Med Chem 21: 4904-13 (2013)
University Of Cape Town
Effect of ring-constrained phenylpropyloxyethylamines on sigma receptors.EBI
Bioorg Med Chem 21: 4923-7 (2013)
University Of Maryland
Biochemical characterization of the chloroplastic ▀-carbonic anhydrase from Flaveria bidentis (L.) "Kuntze".BDB
J Enzyme Inhib Med Chem 29: 500-4 (2014)
Istituto Di Biostrutture E Bioimmagini-Cnr
Direct and nitroxyl (HNO)-mediated reactions of acyloxy nitroso compounds with the thiol-containing proteins glyceraldehyde 3-phosphate dehydrogenase and alkyl hydroperoxide reductase subunit C.EBI
J Med Chem 56: 6583-92 (2013)
Wake Forest University
Structure-activity relationship and in vitro and in vivo evaluation of the potent cytotoxic anti-microtubule agent N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-aminium chloride and its analogues as antitumor agents.EBI
J Med Chem 56: 6829-44 (2013)
Duquesne University
Toward drugs for protease-activated receptor 2 (PAR2).EBI
J Med Chem 56: 7477-97 (2013)
The University Of Queensland
The adenosine A(2A) antagonistic properties of selected C8-substituted xanthines.BDB
Bioorg Chem 49: 49-58 (2013)
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa
Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors.EBI
Bioorg Med Chem 21: 4928-37 (2013)
Ege University
Selective orexin receptor antagonists.EBI
Bioorg Med Chem Lett 23: 4761-9 (2013)
Janssen Pharmaceutica
Anticonvulsant properties of histamine H3 receptor ligands belonging to N-substituted carbamates of imidazopropanol.EBI
Bioorg Med Chem Lett 23: 4886-91 (2013)
United Arab Emirates University
Psammaplysin F: a unique inhibitor of bacterial chromosomal partitioning.EBI
Bioorg Med Chem Lett 23: 4862-6 (2013)
University Of New South Wales
Peroxisome proliferator-activated receptor delta antagonists inhibit hepatitis C virus RNA replication.EBI
Bioorg Med Chem Lett 23: 4774-8 (2013)
Okayama University
1-Hydroxypyrazole as a bioisostere of the acetic acid moiety in a series of aldose reductase inhibitors.EBI
Bioorg Med Chem 21: 4951-7 (2013)
Aristotle University Of Thessaloniki
Macamides and their synthetic analogs: evaluation of in vitro FAAH inhibition.EBI
Bioorg Med Chem 21: 5188-97 (2013)
Mcphs University
Design and synthesis of bicyclic heterocycles as potent┐-secretase modulators.EBI
Bioorg Med Chem Lett 23: 4794-800 (2013)
Janssen Pharmaceutica
Synthesis and characterization of time-resolved fluorescence probes for evaluation of competitive binding to melanocortin receptors.EBI
Bioorg Med Chem 21: 5029-38 (2013)
University Of Arizona
6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35.EBI
J Med Chem 56: 7084-99 (2013)
University Of Bonn
Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports.EBI
Bioorg Med Chem 21: 4938-50 (2013)
Hokkaido University
Solid phase synthesis of Smac/DIABLO-derived peptides using a 'Safety-Catch' resin: identification of potent XIAP BIR3 antagonists.EBI
Bioorg Med Chem 21: 5004-11 (2013)
Queen'S University Of Belfast
Synthesis and optimization of novel (3S,5R)-5-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)piperidine-3-carboxamides as orally active renin inhibitors.EBI
Bioorg Med Chem 21: 5907-22 (2013)
Daiichi Sankyo
3,4-Dihydroxy- and 3,4-methylenedioxy- phenanthrene-type alkaloids with high selectivity for D2 dopamine receptor.EBI
Bioorg Med Chem Lett 23: 4824-7 (2013)
Universidad De Valencia
A novel necroptosis inhibitor-necrostatin-21 and its SAR study.EBI
Bioorg Med Chem Lett 23: 4903-6 (2013)
Chinese Academy Of Sciences
QM-polarized ligand docking accurately predicts the trend in binding affinity of a series of arylmethylene quinuclidine-like derivatives at thea4▀2 anda3▀4 nicotinic acetylcholine receptors (nAChRs).EBI
Bioorg Med Chem Lett 23: 4842-7 (2013)
Targacept
Synthesis of quaternarya-amino acid-based arginase inhibitors via the Ugi reaction.EBI
Bioorg Med Chem Lett 23: 4837-41 (2013)
Institutes For Pharmaceutical Discovery
The discovery of potent blockers of the canonical transient receptor channels, TRPC3 and TRPC6, based on an anilino-thiazole pharmacophore.EBI
Bioorg Med Chem Lett 23: 4979-84 (2013)
Glaxosmithkline
Structure-activity relationships of benzimidazole-based glutaminyl cyclase inhibitors featuring a heteroaryl scaffold.EBI
J Med Chem 56: 6613-25 (2013)
Probiodrug
Roles of phosphate recognition in inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) substrate binding and activation.BDB
J Biol Chem 288: 26908-13 (2013)
Mcgill University
Neuroactive diol and acyloin metabolites from cone snail-associated bacteria.EBI
Bioorg Med Chem Lett 23: 4867-9 (2013)
University Of Utah
Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode.EBI
Bioorg Med Chem Lett 23: 4911-8 (2013)
Aurigene Discovery Technologies
Access to 7?-analogs of codeine with mixed ?/? agonist activity via 6,7-?-epoxide opening.EBI
Bioorg Med Chem Lett 23: 4870-4 (2013)
University Of Texas At Austin
3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors.EBI
Eur J Med Chem 67: 344-51 (2013)
University Of Siena
Probes for narcotic receptor mediated phenomena. 48. C7- and C8-substituted 5-phenylmorphan opioids from diastereoselective alkylation.EBI
Eur J Med Chem 67: 335-43 (2013)
National Institute On Drug Abuse And The National Institute On Alcohol Abuse And Alcoholism
Rapid modifications of N-substitution in iminosugars: development of new▀-glucocerebrosidase inhibitors and pharmacological chaperones for Gaucher disease.EBI
Bioorg Med Chem 21: 5021-8 (2013)
Genomics Research Center
A medicinal chemistry perspective for targeting histone H3 lysine-79 methyltransferase DOT1L.EBI
J Med Chem 56: 8972-83 (2013)
Baylor College Of Medicine
Structure-efficiency relationship of [1,2,4]triazol-3-ylamines as novel nicotinamide isosteres that inhibit tankyrases.EBI
J Med Chem 56: 7049-59 (2013)
Novartis Institutes For Biomedical Research
Structure-guided design of novel thiazolidine inhibitors of O-acetyl serine sulfhydrylase from Mycobacterium tuberculosis.EBI
J Med Chem 56: 6457-66 (2013)
Karolinska Institutet
Synthesis and evaluation of novel radioligands for positron emission tomography imaging of the orexin-2 receptor.EBI
J Med Chem 56: 6371-85 (2013)
Eisai
Synthesis and SAR of 4-aminocyclopentapyrrolidines as orally active N-type calcium channel inhibitors for inflammatory and neuropathic pain.EBI
Bioorg Med Chem Lett 23: 4857-61 (2013)
Abbvie
Absolute configuration of acremoxanthone C, a potent calmodulin inhibitor from Purpureocillium lilacinum.EBI
J Nat Prod 76: 1454-60 (2013)
Universidad Nacional Aut£Noma De M£Xico
Mitotic kinesin Eg5 overcomes inhibition to the phase I/II clinical candidate SB743921 by an allosteric resistance mechanism.EBI
J Med Chem 56: 6317-29 (2013)
The Beatson Institute For Cancer Research
A structure-activity relationship study of 1,2,4-triazolo[1,5-a][1,3,5]triazin-5,7-dione and its 5-thioxo analogues on anti-thymidine phosphorylase and associated anti-angiogenic activities.EBI
Eur J Med Chem 67: 325-34 (2013)
National University Of Singapore
Discovery and biological evaluation of novel 1,4-benzoquinone and related resorcinol derivatives that inhibit 5-lipoxygenase.EBI
Eur J Med Chem 67: 269-79 (2013)
University Of Salerno
Microwave assisted synthesis of some hybrid molecules derived from norfloxacin and investigation of their biological activities.EBI
Eur J Med Chem 67: 230-42 (2013)
Karadeniz Technical University
An expedient, ionic liquid mediated multi-component synthesis of novel piperidone grafted cholinesterase enzymes inhibitors and their molecular modeling study.EBI
Eur J Med Chem 67: 221-9 (2013)
Universiti Sains Malaysia
Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor.EBI
Bioorg Med Chem 21: 5081-97 (2013)
Pfizer
2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.EBI
Bioorg Med Chem Lett 23: 5014-21 (2013)
Genentech
Biological and structural evaluation of 10R- and 10S-methylthio-DDACTHF reveals a new role for sulfur in inhibition of glycinamide ribonucleotide transformylase.BDB
Biochemistry 52: 5133-44 (2013)
The Scripps Research Institute
Cushing's syndrome: development of highly potent and selective CYP11B1 inhibitors of the (pyridylmethyl)pyridine type.EBI
J Med Chem 56: 6022-32 (2013)
Saarland University
Lead identification of novel and selective TYK2 inhibitors.EBI
Eur J Med Chem 67: 175-87 (2013)
Genentech
Evaluation of novel aryloxyalkyl derivatives of imidazole and 1,2,4-triazole as heme oxygenase-1 (HO-1) inhibitors and their antitumor properties.EBI
Bioorg Med Chem 21: 5145-53 (2013)
University Of Catania
Carbonic anhydrase inhibitors: Synthesis and inhibition of the cytosolic mammalian carbonic anhydrase isoforms I, II and VII with benzene sulfonamides incorporating 4,5,6,7-tetrachlorophthalimide moiety.EBI
Bioorg Med Chem 21: 5168-74 (2013)
Birla Institute Of Technology
Catalytic asymmetric total synthesis of (S)-(-)-zearalenone, a novel lipoxygenase inhibitor.EBI
Bioorg Med Chem 21: 5271-4 (2013)
University Of Groningen
In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.EBI
Bioorg Med Chem 21: 5323-31 (2013)
Northwestern University
Structure activity relationship study of benzo[d]thiazol-2(3H)one baseds receptor ligands.EBI
Bioorg Med Chem Lett 23: 5011-3 (2013)
University Of Mississippi
Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.EBI
Bioorg Med Chem Lett 23: 4944-7 (2013)
Chinese Academy Of Sciences
Identification of GNE-293, a potent and selective PI3Kd inhibitor: navigating in vitro genotoxicity while improving potency and selectivity.EBI
Bioorg Med Chem Lett 23: 4953-9 (2013)
Genentech
Therapeutic utility of cannabinoid receptor type 2 (CB(2)) selective agonists.EBI
Cell Chem Biol 56: 8224-56 (2013)
Arena Pharmaceuticals
Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as▀▓- epi-Azumamide E and▀│-epi-Azumamide E.EBI
J Med Chem 56: 6512-20 (2013)
Technical University Of Denmark
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation.BDB
J Biol Chem 288: 26235-45 (2013)
Wageningen University
Novel▀-dicarbonyl derivatives as inhibitors of aminopeptidase N (APN).EBI
Bioorg Med Chem Lett 23: 4948-52 (2013)
Shandong University
Selected furanochalcones as inhibitors of monoamine oxidase.EBI
Bioorg Med Chem Lett 23: 4985-9 (2013)
North-West University
Cembrane diterpenoids from the soft coral Sarcophyton trocheliophorum Marenzeller as a new class of PTP1B inhibitors.EBI
Bioorg Med Chem 21: 5076-80 (2013)
Chinese Academy Of Sciences
2-Substituted 4-hydroxybutanamides as potential inhibitors of ?-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation.EBI
Bioorg Med Chem 21: 5154-67 (2013)
Jagiellonian University Medical College
Synthesis and biological evaluation of novobiocin analogues as potential heat shock protein 90 inhibitors.EBI
Bioorg Med Chem 21: 5118-29 (2013)
University Of Arizona
5-Substituted-(1,2,3-triazol-4-yl)thiophene-2-sulfonamides strongly inhibit human carbonic anhydrases I, II, IX and XII: solution and X-ray crystallographic studies.EBI
Bioorg Med Chem 21: 5130-8 (2013)
Latvian Association Of Human Genetics
Highly potent and selective nonsteroidal dual inhibitors of CYP17/CYP11B2 for the treatment of prostate cancer to reduce risks of cardiovascular diseases.EBI
J Med Chem 56: 6101-7 (2013)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland (Hips)
Structure-based discovery of novel amide-containing nicotinamide phosphoribosyltransferase (nampt) inhibitors.EBI
J Med Chem 56: 6413-33 (2013)
Forma Therapeutics
Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II.EBI
J Med Chem 56: 6352-70 (2013)
University Of Manchester
Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.EBI
Bioorg Med Chem Lett 23: 4674-9 (2013)
Elan Pharmaceuticals
Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: optimization of kinase selectivity and pharmacokinetics.EBI
Bioorg Med Chem Lett 23: 4511-6 (2013)
Osi Pharmaceuticals
Discovery, synthesis, and structure-activity relationships of 2-aminoquinazoline derivatives as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators.EBI
Bioorg Med Chem Lett 23: 4493-500 (2013)
Merz Pharmaceuticals
Exploring the orthosteric binding site of the ?-aminobutyric acid type A receptor using 4-(Piperidin-4-yl)-1-hydroxypyrazoles 3- or 5-imidazolyl substituted: design, synthesis, and pharmacological evaluation.EBI
J Med Chem 56: 6536-40 (2013)
University Of Copenhagen
1-substituted (Dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-ones endowed with dual DNA-PK/PI3-K inhibitory activity.EBI
J Med Chem 56: 6386-401 (2013)
Newcastle University
The importance of hydrogen bonding and aromatic stacking to the affinity and efficacy of cannabinoid receptor CB2 antagonist, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide (SR144528).EBI
J Med Chem 56: 6593-612 (2013)
University Of Texas-Pan American
Histone deacetylase 7 promotes Toll-like receptor 4-dependent proinflammatory gene expression in macrophages.BDB
J Biol Chem 288: 25362-74 (2013)
University Of Queensland
Synthesis and biological evaluation of pyrazolo[4,3-d]pyrimidine analogues.EBI
Eur J Med Chem 67: 152-7 (2013)
Sichuan University
Synthesis and biological evaluation of flavones and benzoflavones as inhibitors of BCRP/ABCG2.EBI
Eur J Med Chem 67: 115-26 (2013)
University Of Bonn
The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases.EBI
Eur J Med Chem 67: 81-9 (2013)
Academy Of Sciences Of The Czech Republic
Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity.EBI
Bioorg Med Chem Lett 23: 4597-601 (2013)
Da Universidade De S£O Paulo
A novel series of metabotropic glutamate receptor 5 negative allosteric modulators based on a 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine core.EBI
Bioorg Med Chem Lett 23: 4523-7 (2013)
Addex Therapeutics
Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors.EBI
Bioorg Med Chem Lett 23: 4501-5 (2013)
Takeda California
Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.EBI
Bioorg Med Chem Lett 23: 4517-22 (2013)
Osi Pharmaceuticals
1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases.EBI
Bioorg Med Chem Lett 23: 4547-51 (2013)
Universit£
One-pot tandem Hurtley-retro-Claisen-cyclisation reactions in the synthesis of 3-substituted analogues of 5-aminoisoquinolin-1-one (5-AIQ), a water-soluble inhibitor of PARPs.EBI
Bioorg Med Chem 21: 5218-27 (2013)
University Of Bath
3-Carboxamido-5-aryl-isoxazoles as new CB2 agonists for the treatment of colitis.EBI
Bioorg Med Chem 21: 5383-94 (2013)
Universit£
Design and synthesis of imidazolidine-2,4-dione derivatives as selective inhibitors by targeting protein tyrosine phosphatase-1B over T-cell protein tyrosine phosphatase.BDB
Chem Biol Drug Des 82: 595-602 (2013)
Tianjin Medical University
Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective type 5 17▀-hydroxysteroid dehydrogenase inhibitor.EBI
Bioorg Med Chem 21: 5261-70 (2013)
Astellas Pharma
Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.EBI
Bioorg Med Chem Lett 23: 5244-8 (2013)
Bristol-Myers Squibb R & D
Structure guided design of a series of sphingosine kinase (SphK) inhibitors.EBI
Bioorg Med Chem Lett 23: 4608-16 (2013)
Amgen
1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11▀-HSD1 inhibitors for the treatment of diabetes.EBI
Bioorg Med Chem Lett 23: 4685-91 (2013)
Sanofi Deutschland
Synthesis of novel diarylamino-1,3,5-triazine derivatives as FAK inhibitors with anti-angiogenic activity.EBI
Bioorg Med Chem Lett 23: 4552-6 (2013)
University Of Paris
Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems and the discovery of dolutegravir (S/GSK1349572) and (S/GSK1265744).EBI
J Med Chem 56: 5901-16 (2013)
Glaxosmithkline Research & Development
Optimization of N-benzoylindazole derivatives as inhibitors of human neutrophil elastase.EBI
J Med Chem 56: 6259-72 (2013)
Universit£
Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor.EBI
J Med Chem 56: 6495-511 (2013)
Novartis Institutes For Biomedical Research
Inhibition of tumor-associated human carbonic anhydrase isozymes IX and XII by a new class of substituted-phenylacetamido aromatic sulfonamides.EBI
Bioorg Med Chem 21: 5228-32 (2013)
Bezmialem Vakif University
Mitigation of cardiovascular toxicity in a series of CSF-1R inhibitors, and the identification of AZD7507.EBI
Bioorg Med Chem Lett 23: 4591-6 (2013)
Astrazeneca
Laccaic acid A is a direct, DNA-competitive inhibitor of DNA methyltransferase 1.BDB
J Biol Chem 288: 23858-67 (2013)
University Of Iowa
Heterodimerization with Its splice variant blocks the ghrelin receptor 1a in a non-signaling conformation: a study with a purified heterodimer assembled into lipid discs.BDB
J Biol Chem 288: 24656-65 (2013)
UniversitÚ Montpellier 1
Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 67: 64-74 (2013)
Instituto De Qu£Mica Org£Nica General (Csic)
Discovery and optimization of novel 4-phenoxy-6,7-disubstituted quinolines possessing semicarbazones as c-Met kinase inhibitors.EBI
Bioorg Med Chem 21: 5246-60 (2013)
Shenyang Pharmaceutical University
Discovery of 'molecular switches' within a GIRK activator scaffold that afford selective GIRK inhibitors.EBI
Bioorg Med Chem Lett 23: 4562-6 (2013)
Northwest Agriculture & Forestry University
LDK378: a promising anaplastic lymphoma kinase (ALK) inhibitor.EBI
J Med Chem 56: 5673-4 (2014)
University Of Michigan Comprehensive Cancer Center
Atropisomeric 4-phenyl-4H-1,2,4-triazoles as selective glycine transporter 1 inhibitors.EBI
J Med Chem 56: 5744-56 (2014)
Astellas Pharma
Imidazolium-based warheads strongly influence activity of water-soluble peptidic transglutaminase inhibitors.EBI
Eur J Med Chem 66: 526-30 (2013)
Aston University
Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors.EBI
J Med Chem 56: 6054-68 (2013)
University Of Illinois College Of Pharmacy
Identification of novel chromone based sulfonamides as highly potent and selective inhibitors of alkaline phosphatases.EBI
Eur J Med Chem 66: 438-49 (2013)
Forman Christian College (A Chartered University)
Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.EBI
Bioorg Med Chem Lett 23: 4571-8 (2013)
Pfizer
Discovery and optimisation of 1-hydroxyimino-3,3-diphenylpropanes, a new class of orally active GPBAR1 (TGR5) agonists.EBI
Bioorg Med Chem Lett 23: 4627-32 (2013)
F. Hoffmann-La Roche
Synthesis and evaluation of 1-[2-(4-[(11)C]methoxyphenyl)phenyl]piperazine for imaging of the serotonin 5-HT7 receptor in the rat brain.EBI
Bioorg Med Chem 21: 5316-22 (2013)
National Institute Of Radiological Sciences
Structure-activity relationship studies of Niemann-Pick type C1-like 1 (NPC1L1) ligands identified by screening assay monitoring pharmacological chaperone effect.EBI
Bioorg Med Chem 21: 5297-309 (2013)
The University Of Tokyo
Synthesis and in vitro cellular uptake of 11C-labeled 5-aminolevulinic acid derivative to estimate the induced cellular accumulation of protoporphyrin IX.EBI
Bioorg Med Chem Lett 23: 4567-70 (2013)
National Institute Of Radiological Sciences
The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents.EBI
J Med Chem 56: 6069-87 (2013)
Entremed
A novel series of highly potent 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitors.EBI
J Med Chem 56: 6234-47 (2013)
Palack£
Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit.EBI
J Med Chem 56: 6156-74 (2013)
University College London
Key mutations alter the cytochrome P450 BM3 conformational landscape and remove inherent substrate bias.BDB
J Biol Chem 288: 25387-99 (2013)
University Of Manchester
Design and synthesis of novel 4-(4-oxo-2-arylthiazolidin-3-yl)benzenesulfonamides as selective inhibitors of carbonic anhydrase IX over I and II with potential anticancer activity.EBI
Eur J Med Chem 66: 372-9 (2013)
Manipal College Of Pharmaceutical Sciences
DXP synthase-catalyzed C-N bond formation: nitroso substrate specificity studies guide selective inhibitor design.BDB
Chembiochem 14: 1309-15 (2013)
The Johns Hopkins University
Cyclic enkephalins with a diversely substituted guanidine bridge or a thiourea bridge: synthesis, biological and structural evaluations.EBI
J Med Chem 56: 5964-5973 (2013)
Universit£
Synthesis and structure-activity relationship studies of O-biphenyl-3-yl carbamates as peripherally restricted fatty acid amide hydrolase inhibitors.EBI
J Med Chem 56: 5917-30 (2014)
Fondazione Istituto Italiano Di Tecnologia
Novel N-hydroxyfurylacrylamide-based histone deacetylase (HDAC) inhibitors with branched CAP group (Part 2).EBI
Bioorg Med Chem 21: 5339-54 (2013)
China Pharmaceutical University
Synthesis and the 5-HT6 receptor antagonistic effect of 3-arylsulfonylamino-5,6-dihydro-6-substituted pyrazolo[3,4]pyridinones for neuropathic pain treatment.EBI
Bioorg Med Chem Lett 23: 4696-700 (2013)
Korea Institutes Of Science And Technology (Kist)
Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.EBI
Bioorg Med Chem Lett 23: 4652-6 (2013)
Novartis Institutes For Biomedical Research
DXR inhibition by potent mono- and disubstituted fosmidomycin analogues.EBI
J Med Chem 56: 6190-9 (2013)
Uppsala University
Identification of N-substituted 8-azatetrahydroquinolone derivatives as selective and orally active M(1) and M(4) muscarinic acetylcholine receptors agonists.EBI
Bioorg Med Chem Lett 23: 4644-7 (2013)
Dainippon Sumitomo Pharma
Synthesis and in vivo evaluation of [(18)F]2-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione ([(18)F]FECUMI-101) as an imaging probe for 5-HT1A receptor agonist in nonhuman primates.EBI
Bioorg Med Chem 21: 5598-604 (2013)
Columbia University Medical Center
Autotaxin inhibition: development and application of computational tools to identify site-selective lead compounds.EBI
Bioorg Med Chem 21: 5548-60 (2013)
The University Of Memphis
Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold.EBI
Bioorg Med Chem 21: 5470-9 (2013)
Universit£
Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map.EBI
Bioorg Med Chem 21: 5488-502 (2013)
Takeda Pharmaceutical
4-Amino-7-chloroquinolines: probing ligand efficiency provides botulinum neurotoxin serotype A light chain inhibitors with significant antiprotozoal activity.EBI
J Med Chem 56: 5860-71 (2014)
University Of Belgrade
A class of sulfonamides with strong inhibitory action against the ?-carbonic anhydrase from Trypanosoma cruzi.EBI
J Med Chem 56: 5773-81 (2013)
Istanbul University
3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening.EBI
J Med Chem 56: 5275-87 (2014)
Naval Research Laboratories
ABSOLUTE CONFIGURATION AND BIOLOGICAL PROPERTIES OF ENANTIOMERS OF CFTR INHIBITOR BPO-27.EBI
ACS Med Chem Lett 4: 456-459 (2013)
University Of California
MICE models: superior to the HERG model in predicting Torsade de Pointes.EBI
Sci Rep 3: (2013)
Chantest
Quercitylcinnamates, a new series of antidiabetic bioconjugates possessinga-glucosidase inhibition and antioxidant.EBI
Eur J Med Chem 66: 296-304 (2013)
Chulalongkorn University
Modulation ofav▀3- anda5▀1-integrin-mediated adhesion by dehydro-▀-amino acids containing peptidomimetics.EBI
Eur J Med Chem 66: 258-68 (2013)
University Of Bologna
Solid-phase synthesis of 5'-triphosphate 2'-5'-oligoadenylates analogs with 3'-O-biolabile groups and their evaluation as RNase L activators and antiviral drugs.EBI
Bioorg Med Chem 21: 5461-9 (2013)
University Of Montpellier
Oxazolopyridines and thiazolopyridines as monoamine oxidase B inhibitors for the treatment of Parkinson's disease.EBI
Bioorg Med Chem 21: 5480-7 (2013)
Korea Institute Of Science And Technology
Synthesis, evaluation and molecular dynamics study of some new 4-aminopyridine semicarbazones as an antiamnesic and cognition enhancing agents.EBI
Bioorg Med Chem 21: 5451-60 (2013)
Banaras Hindu University
Investigations on synthesis and structure elucidation of novel [1,2,4]triazolo[1,2-a]pyridazine-1-thiones and their inhibitory activity against inducible nitric oxide synthase.EBI
Bioorg Med Chem 21: 5518-31 (2013)
Ernst-Moritz-Arndt University Greifswald
Synthesis anda-glucosidase inhibitory activity evaluation of N-substituted aminomethyl-▀-d-glucopyranosides.EBI
Bioorg Med Chem 21: 5442-50 (2013)
Xi'An Jiaotong University
A 2,6,9-hetero-trisubstituted purine inhibitor exhibits potent biological effects against multiple myeloma cells.EBI
Bioorg Med Chem 21: 5618-28 (2013)
University Of Toronto
Hydantoin based inhibitors of MMP13--discovery of AZD6605.EBI
Bioorg Med Chem Lett 23: 4705-12 (2013)
Astrazeneca
Synthesis and biological evaluation of aminobenzimidazole derivatives with a phenylcyclohexyl acetic acid group as anti-obesity and anti-diabetic agents.EBI
Bioorg Med Chem Lett 23: 4713-8 (2013)
Korea Research Institute Of Chemical Technology
Design and synthesis of novel series of 5-HT6 receptor ligands having indole, a central aromatic core and 1-amino-4 methyl piperazine as a positive ionizable group.EBI
Bioorg Med Chem 21: 5573-82 (2013)
Ewha Womans University
Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase.EBI
Bioorg Med Chem 21: 5629-46 (2013)
Industrial Research
C-Glucosides with heteroaryl thiophene as novel sodium-dependent glucose cotransporter 2 inhibitors.EBI
Bioorg Med Chem 21: 5561-72 (2013)
Mitsubishi Tanabe Pharma
Carbonic anhydrase inhibitors. Phenols incorporating 2- or 3-pyridyl-ethenylcarbonyl and tertiary amine moieties strongly inhibit Saccharomyces cerevisiae ▀-carbonic anhydrase.BDB
J Enzyme Inhib Med Chem 29: 495-9 (2014)
Ataturk University
Discovery of RG7388, a potent and selective p53-MDM2 inhibitor in clinical development.EBI
J Med Chem 56: 5979-83 (2014)
Roche Research Center
2-[(3aR,4R,5S,7aS)-5-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy}-4-(2-methylphenyl)octahydro-2H-isoindol-2-yl]-1,3-oxazol-4(5H)-one: a potent human NK1 receptor antagonist with multiple clearance pathways.EBI
J Med Chem 56: 5940-8 (2014)
Merck Research Laboratories
Optimization of ligand and lipophilic efficiency to identify an in vivo active furano-pyrimidine Aurora kinase inhibitor.EBI
J Med Chem 56: 5247-60 (2014)
National Health Research Institutes
Non-imidazole histamine HEBI
Med Chem Res 22: 3640-3652 (2013)
Medical University
Exploring 4-substituted-2-thiazolylhydrazones from 2-, 3-, and 4-acetylpyridine as selective and reversible hMAO-B inhibitors.EBI
Eur J Med Chem 66: 221-7 (2013)
Sapienza University Of Rome
Discovery of novel tetrahydro-pyrazolo [4,3-c] pyridines for the treatment of neuropathic pain: synthesis and neuropharmacology.EBI
Eur J Med Chem 66: 211-20 (2013)
Birla Institute Of Technology & Science - Pilani
Development of stapled short helical peptides capable of inhibiting vitamin D receptor (VDR)-coactivator interactions.EBI
Bioorg Med Chem Lett 23: 4292-6 (2013)
National Institute Of Health Sciences
3-Aryl-3-arylmethoxyazetidines. A new class of high affinity ligands for monoamine transporters.EBI
Bioorg Med Chem Lett 23: 4404-7 (2013)
University Of New Orleans
Discovery of triazines as potent, selective and orally active PDE4 inhibitors.EBI
Bioorg Med Chem Lett 23: 4308-14 (2013)
Biocrea
Potential of lichen secondary metabolites against Plasmodium liver stage parasites with FAS-II as the potential target.EBI
J Nat Prod 76: 1064-70 (2013)
University Of London
Effects of the methoxy group in the side chain of debromoaplysiatoxin on its tumor-promoting and anti-proliferative activities.EBI
Bioorg Med Chem Lett 23: 4319-23 (2013)
Kyoto University
3'-Oxo-, amino-, thio- and sulfone-acetic acid modified thymidines: effect of increased acidity on ribonuclease A inhibition.EBI
Bioorg Med Chem 21: 4634-45 (2013)
Institute Of Technology Kharagpur
Heteroaromatic and aniline derivatives of piperidines as potent ligands for vesicular acetylcholine transporter.EBI
J Med Chem 56: 6216-33 (2013)
Washington University
Mono-carbonyl curcumin analogues as 11▀-hydroxysteroid dehydrogenase 1 inhibitors.EBI
Bioorg Med Chem Lett 23: 4362-6 (2013)
Wenzhou Medical College
Design, synthesis, and evaluation of multitarget-directed resveratrol derivatives for the treatment of Alzheimer's disease.EBI
J Med Chem 56: 5843-59 (2014)
Sun Yat-Sen University
Design and synthesis of conformationally restricted capsaicin analogues based in the 1, 3, 4-thiadiazole heterocycle reveal a novel family of transient receptor potential vanilloid 1 (TRPV1) antagonists.EBI
Eur J Med Chem 66: 193-203 (2013)
University Of Concepcion
Sandmeyer reaction repurposed for the site-selective, non-oxidizing radioiodination of fully-deprotected peptides: studies on the endogenous opioid peptide ?-neoendorphin.EBI
Bioorg Med Chem Lett 23: 4347-50 (2013)
Memorial Sloan-Kettering Cancer Center
Pin1 inhibitors: Pitfalls, progress and cellular pharmacology.EBI
Bioorg Med Chem Lett 23: 4283-91 (2013)
Horizon Discovery
11▀-HSD1 inhibitors from Walsura cochinchinensis.EBI
J Nat Prod 76: 1319-27 (2013)
Chinese Academy Of Sciences
Selective cannabinoid receptor type 2 (CB2) agonists: optimization of a series of purines leading to the identification of a clinical candidate for the treatment of osteoarthritic pain.EBI
J Med Chem 56: 5722-33 (2013)
Lilly Research Laboratories
Thiazolylaminomannosides as potent antiadhesives of type 1 piliated Escherichia coli isolated from Crohn's disease patients.EBI
J Med Chem 56: 5395-406 (2014)
Lunam Universit£
Synthesis, Activity and Metabolic Stability of Non-Ribose Containing Inhibitors of Histone Methyltransferase DOT1L.EBI
Medchemcomm 4: 822-826 (2013)
Baylor College Of Medicine
Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.EBI
ACS Med Chem Lett 4: 542-546 (2013)
Baylor College Of Medicine
L-Aminoacyl-triazine derivatives are isoform-selective PI3K? inhibitors that target non-conserved Asp862 of PI3K?EBI
ACS Med Chem Lett 4: 206-210 (2013)
Monash University (Parkville Campus)
Site-specific inhibitory mechanism for amyloid ▀42 aggregation by catechol-type flavonoids targeting the Lys residues.BDB
J Biol Chem 288: 23212-24 (2013)
Kyoto University
Nonclassical antifolates, part 4. 5-(2-aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: synthesis, biological evaluation and molecular modeling study.EBI
Eur J Med Chem 66: 135-45 (2013)
King Saud University
Synthesis and pharmacological evaluation of new N-phenylpiperazine derivatives designed as homologues of the antipsychotic lead compound LASSBio-579.EBI
Eur J Med Chem 66: 122-34 (2013)
Universidade Federal Do Rio De Janeiro
Nitric oxide donating anilinopyrimidines: synthesis and biological evaluation as EGFR inhibitors.EBI
Eur J Med Chem 66: 82-90 (2013)
China Pharmaceutical University
Design, synthesis and preliminary evaluation of a series of histone deacetylase inhibitors carrying a benzodiazepine ring.EBI
Eur J Med Chem 66: 56-68 (2013)
University Of Florence
Control of the intracellular levels of prostaglandin E2 through inhibition of the 15-hydroxyprostaglandin dehydrogenase for wound healing.EBI
Bioorg Med Chem 21: 4477-84 (2013)
Chungbuk National University
Effects of (-)-epicatechin and derivatives on nitric oxide mediated induction of mitochondrial proteins.EBI
Bioorg Med Chem Lett 23: 4441-6 (2013)
University Of California
Anticancer activity and SAR studies of substituted 1,4-naphthoquinones.EBI
Bioorg Med Chem 21: 4662-9 (2013)
The Ohio State University
Selective inhibition of human acetylcholinesterase by xanthine derivatives: in vitro inhibition and molecular modeling investigations.EBI
Bioorg Med Chem Lett 23: 4336-41 (2013)
University Of Waterloo
Vialinin A is a ubiquitin-specific peptidase inhibitor.EBI
Bioorg Med Chem Lett 23: 4328-31 (2013)
Tokyo University Of Agriculture
Anion inhibition studies of the ?-carbonic anhydrase from the protozoan pathogen Trypanosoma cruzi, the causative agent of Chagas disease.EBI
Bioorg Med Chem 21: 4472-6 (2013)
University Of Tampere And Tampere University Hospital
Synthesis and evaluation of N8-acetylspermidine analogues as inhibitors of bacterial acetylpolyamine amidohydrolase.EBI
Bioorg Med Chem 21: 4530-40 (2013)
University Of Pennsylvania
Structure-based design of flavone-based inhibitors of wild-type and T315I mutant of ABL.EBI
Bioorg Med Chem Lett 23: 4324-7 (2013)
Korea Advanced Institute Of Science And Technology
Design, synthesis and biological studies of novel tubulin inhibitors.EBI
Bioorg Med Chem Lett 23: 4465-8 (2013)
The Ohio State University
Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain.EBI
J Med Chem 56: 5949-63 (2014)
National Institute Of Diabetes And Digestive And Kidney Diseases
Synthesis and biological evaluation of metabolites of 2-n-butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine (ST1535), a potent antagonist of the A2A adenosine receptor for the treatment of Parkinson's disease.EBI
J Med Chem 56: 5456-63 (2013)
Universit£
Synthesis of substituted diphenyl sulfones and their structure-activity relationship with the antagonism of 5-??6 receptors.EBI
Bioorg Med Chem 21: 4614-27 (2013)
Chemical Diversity Research Institute (Cdri)
Determination of the binding mode and interacting amino-acids for dibasic H3 receptor antagonists.EBI
Bioorg Med Chem 21: 4526-9 (2013)
Bioprojet-Biotech
Synthesis and evaluation of pharmacological properties of some new xanthone derivatives with piperazine moiety.EBI
Bioorg Med Chem Lett 23: 4419-23 (2013)
Jagiellonian University Medical College
Identification of potent Yes1 kinase inhibitors using a library screening approach.EBI
Bioorg Med Chem Lett 23: 4398-403 (2013)
Frederick National Laboratory For Cancer Research
Syntheses and evaluation of novel isoliquiritigenin derivatives as potential dual inhibitors for amyloid-beta aggregation and 5-lipoxygenase.EBI
Eur J Med Chem 66: 22-31 (2013)
Sun Yat-Sen University
Histone deacetylase inhibitors equipped with estrogen receptor modulation activity.EBI
J Med Chem 56: 5782-96 (2013)
Georgia Institute Of Technology
A potent small-molecule inhibitor of the MDM2-p53 interaction (MI-888) achieved complete and durable tumor regression in mice.EBI
J Med Chem 56: 5553-61 (2014)
University Of Michigan
Sulfonamides containing coumarin moieties selectively and potently inhibit carbonic anhydrases II and IX: design, synthesis, inhibitory activity and 3D-QSAR analysis.EBI
Eur J Med Chem 66: 1-11 (2013)
Nanjing University
Indole derivatives as dual-effective agents for the treatment of neurodegenerative diseases: synthesis, biological evaluation, and molecular modeling studies.EBI
Bioorg Med Chem 21: 4575-80 (2013)
Universit£
Design, synthesis and evaluation of novel 2-hydroxypyrrolobenzodiazepine-5,11-dione analogues as potent angiotensin converting enzyme (ACE) inhibitors.EBI
Bioorg Med Chem 21: 4485-93 (2013)
Csir-Indian Institute Of Chemical Technology
Orally available and efficaciousa4▀1/a4▀7 integrin inhibitors.EBI
Bioorg Med Chem Lett 23: 4370-3 (2013)
Elan Pharmaceuticals
Phosphinic acid-based inhibitors of tubulin polyglutamylases.EBI
Bioorg Med Chem Lett 23: 4408-12 (2013)
University Of British Columbia
Discovery of novel oxazolidinedione derivatives as potent and selective mineralocorticoid receptor antagonists.EBI
Bioorg Med Chem Lett 23: 4388-92 (2013)
Merck Research Laboratories
Aeruginosins from a Microcystis sp. bloom material collected in Varanasi, India.EBI
J Nat Prod 76: 1187-90 (2013)
Tel-Aviv University
New insights into the pharmacological chaperone activity of c2-substituted glucoimidazoles for the treatment of Gaucher disease.BDB
Chembiochem 14: 1239-47 (2013)
Nankai University
Functional selectivity of 6'-guanidinonaltrindole (6'-GNTI) at kappa-opioid receptors in striatal neurons.BDB
J Biol Chem 288: 22387-98 (2013)
The Scripps Research Institute
Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.EBI
Bioorg Med Chem Lett 23: 4381-7 (2013)
Osi Pharmaceuticals
Rationally designed sulfamides as glutamate carboxypeptidase II inhibitors.BDB
Chem Biol Drug Des 82: 612-9 (2013)
Washington State University At Pullman
Targeting gain of function and resistance mutations in Abl and KIT by hybrid compound design.EBI
J Med Chem 56: 5757-72 (2014)
Technical University Of Dortmund
An Amino-Benzosuberene Analogue That Inhibits Tubulin Assembly and Demonstrates Remarkable Cytotoxicity.EBI
Medchemcomm 3: 720-724 (2012)
Baylor University
Synthesis of N-substituted acyclic▀-amino acids and their investigation as GABA uptake inhibitors.EBI
Eur J Med Chem 65: 487-99 (2013)
Zentrum F£R Pharmaforschung
Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).EBI
Eur J Med Chem 65: 477-86 (2013)
East China University Of Science And Technology
Dimeric and trimeric triazole based molecules as a new class of Hsp90 molecular chaperone inhibitors.EBI
Eur J Med Chem 65: 464-76 (2013)
University Of Salerno
Fused thiazolyl alkynes as potent mGlu5 receptor positive allosteric modulators.EBI
Bioorg Med Chem Lett 23: 4037-43 (2013)
Lundbeck Research Usa
Synthesis of novel celecoxib analogues by bioisosteric replacement of sulfonamide as potent anti-inflammatory agents and cyclooxygenase inhibitors.EBI
Bioorg Med Chem 21: 4581-90 (2013)
Kurukshetra University
Synthesis, characterization, and biological assessment of the four stereoisomers of the H(3) receptor antagonist 5-fluoro-2-methyl-N-[2-methyl-4-(2-methyl[1,3']bipyrrolidinyl-1'-yl)phenyl]benzamide.EBI
Bioorg Med Chem Lett 23: 4044-7 (2013)
Sanofi Us
Design, synthesis and structure-activity relationships of zwitterionic spirocyclic compounds as potent CCR1 antagonists.EBI
Bioorg Med Chem Lett 23: 4026-30 (2013)
Astrazeneca
A highly catalytically active┐-carbonic anhydrase from the pathogenic anaerobe Porphyromonas gingivalis and its inhibition profile with anions and small molecules.EBI
Bioorg Med Chem Lett 23: 4067-71 (2013)
Istituto Di Biochimica Delle Proteine-Cnr
Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.EBI
Bioorg Med Chem Lett 23: 4459-64 (2013)
Amgen
Cyanidin, a natural flavonoid, is an agonistic ligand for liver X receptor alpha and beta and reduces cellular lipid accumulation in macrophages and hepatocytes.EBI
Bioorg Med Chem Lett 23: 4185-90 (2013)
Korea University
Novel triple reuptake inhibitors with low risk of CAD associated liabilities: design, synthesis and biological activities of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine and related compounds.EBI
Bioorg Med Chem 21: 4600-13 (2013)
Takeda Pharmaceutical
7-Substituted-sulfocoumarins are isoform-selective, potent carbonic anhydrase II inhibitors.EBI
Bioorg Med Chem 21: 4502-10 (2013)
Universit£
Benzofused hydroxamic acids: useful fragments for the preparation of histone deacetylase inhibitors. Part 1: hit identification.EBI
Bioorg Med Chem Lett 23: 4091-5 (2013)
Menarini Ricerche
Discovery of novel indolinone-based, potent, selective and brain penetrant inhibitors of LRRK2.EBI
Bioorg Med Chem Lett 23: 4085-90 (2013)
Novartis Institutes For Biomedical Research
Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERa-selective antagonist.EBI
Bioorg Med Chem Lett 23: 4031-6 (2013)
The University Of Tokyo
Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: discovery of a quinazolinone chemotype.EBI
Bioorg Med Chem Lett 23: 4132-40 (2013)
Boehringer Ingelheim (Canada)
Synthesis and changes in affinity for NOP and opioid receptors of novel hexapeptides containing ?(2)-tryptophan analogues.EBI
Bioorg Med Chem Lett 23: 4052-5 (2013)
Bulgarian Academy Of Sciences
Design, synthesis and neuroprotective evaluation of novel tacrine-benzothiazole hybrids as multi-targeted compounds against Alzheimer's disease.EBI
Bioorg Med Chem 21: 4559-69 (2013)
Universidade T£Cnica De Lisboa
Discovery of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL.EBI
J Med Chem 56: 5514-40 (2014)
The Walter And Eliza Hall Institute Of Medical Research
Design of cell-permeable stapled peptides as HIV-1 integrase inhibitors.EBI
J Med Chem 56: 5601-12 (2013)
Shanghai Institute Of Materia Medica
Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrinaIIb▀3.EBI
Bioorg Med Chem 21: 4646-61 (2013)
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine
Discovery of benzamide analogs as negative allosteric modulators of human neuronal nicotinic receptors: pharmacophore modeling and structure-activity relationship studies.EBI
Bioorg Med Chem 21: 4730-43 (2013)
The Ohio State University
Synthesis and structure-activity relationship of 2-arylamino-4-aryl-pyrimidines as potent PAK1 inhibitors.EBI
Bioorg Med Chem Lett 23: 4072-5 (2013)
Astex Pharmaceuticals
The discovery of potent selective NPY Y(2) antagonists.EBI
Bioorg Med Chem Lett 23: 4141-4 (2013)
Janssen Research And Development
Discovery of TD-8954, a clinical stage 5-HT(4) receptor agonist with gastrointestinal prokinetic properties.EBI
Bioorg Med Chem Lett 23: 4210-5 (2013)
Theravance
Design, synthesis, and evaluation of novel VEGFR2 kinase inhibitors: discovery of [1,2,4]triazolo[1,5-a]pyridine derivatives with slow dissociation kinetics.EBI
Bioorg Med Chem 21: 4714-29 (2013)
Takeda Pharmaceutical
Siderocalin outwits the coordination chemistry of vibriobactin, a siderophore of Vibrio cholerae.BDB
ACS Chem Biol 8: 1882-7 (2013)
University Of California
?-aminobutyric acid(C) (GABAC) selective antagonists derived from the bioisosteric modification of 4-aminocyclopent-1-enecarboxylic acid: amides and hydroxamates.EBI
J Med Chem 56: 5626-30 (2013)
University Of Sydney
A small molecule bidentate-binding dual inhibitor probe of the LRRK2 and JNK kinases.BDB
ACS Chem Biol 8: 1747-54 (2013)
The Scripps Research Institute
Highly efficient biocompatible neuroprotectants with dual activity as antioxidants and P2Y receptor agonists.EBI
J Med Chem 56: 4938-52 (2013)
Bar-Ilan University
Synthesis and mechanism of hypoglycemic activity of benzothiazole derivatives.EBI
J Med Chem 56: 5335-50 (2014)
Bar-Ilan University
Design, synthesis, and biological evaluation of (E)-N-aryl-2-arylethenesulfonamide analogues as potent and orally bioavailable microtubule-targeted anticancer agents.EBI
J Med Chem 56: 5562-86 (2013)
Icahn School Of Medicine At Mount Sinai
Discovery and structure-activity relationships of ent-Kaurene diterpenoids as potent and selective 11▀-HSD1 inhibitors: potential impact in diabetes.EBI
Eur J Med Chem 65: 403-14 (2013)
Chinese Academy Of Sciences
Synthesis, structure-property relationships and pharmacokinetic evaluation of ethyl 6-aminonicotinate sulfonylureas as antagonists of the P2Y12 receptor.EBI
Eur J Med Chem 65: 360-75 (2013)
Astrazeneca
Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex.EBI
Bioorg Med Chem Lett 23: 4107-11 (2013)
Bristol-Myers Squibb Research And Development
Inhibition of Candida albicans isocitrate lyase activity by cadiolides and synoilides from the ascidian Synoicum sp.EBI
Bioorg Med Chem Lett 23: 4099-101 (2013)
Seoul National University
New bioactive dihydrofuranocoumarins from the roots of the Tunisian Ferula lutea (Poir.) Maire.EBI
Bioorg Med Chem Lett 23: 4248-52 (2013)
University Of Monastir
Synthesis and evaluation of a conditionally-silent agonist for thea7 nicotinic acetylcholine receptor.EBI
Bioorg Med Chem Lett 23: 4145-9 (2013)
University Of Florida
The identification of novel p38? isoform selective kinase inhibitors having an unprecedented p38? binding mode.EBI
Bioorg Med Chem Lett 23: 4120-6 (2013)
Bristol-Myers Squibb Pharmaceutical Research Institute
Notable difference in anti-HIV activity of integrase inhibitors as a consequence of geometric and enantiomeric configurations.EBI
Bioorg Med Chem Lett 23: 4112-6 (2013)
University Of Georgia
Synthesis and acrosin inhibitory activities of 5-phenyl-1H-pyrazole-3-carboxylic acid amide derivatives.EBI
Bioorg Med Chem Lett 23: 4177-84 (2013)
Second Military Medical University
Dissecting cytochrome P450 3A4-ligand interactions using ritonavir analogues.BDB
Biochemistry 52: 4474-81 (2013)
University Of California Irvine
Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant.EBI
J Med Chem 56: 5382-94 (2014)
Universit£
2-Aminothiazole based P2Y(1) antagonists as novel antiplatelet agents.EBI
Bioorg Med Chem Lett 23: 4206-9 (2013)
Bristol-Myers Squibb
De novo tyrosinase inhibitor: 4-(6,7-dihydro-5H-indeno[5,6-d]thiazol-2-yl)benzene-1,3-diol (MHY1556).EBI
Bioorg Med Chem Lett 23: 4172-6 (2013)
Pusan National University
Design, synthesis and evaluation of inhibitor of apoptosis protein (IAP) antagonists that are highly selective for the BIR2 domain of XIAP.EBI
Bioorg Med Chem Lett 23: 4253-7 (2013)
Sanford-Burnham Medical Research Institute
Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs.EBI
Bioorg Med Chem Lett 23: 4216-20 (2013)
Hoffmann-La Roche
Dissecting the pharmacophore of curcumin. Which structural element is critical for which action?EBI
J Nat Prod 76: 1105-12 (2013)
Universit£
PARP inhibitor with selectivity toward ADP-ribosyltransferase ARTD3/PARP3.BDB
ACS Chem Biol 8: 1698-703 (2013)
Ume£
Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase EBI
J Med Chem 56: 5675-90 (2014)
Genomics Institute Of The Novartis Research Foundation
An effective prodrug strategy to selectively enhance ocular exposure of a cannabinoid receptor (CB1/2) agonist.EBI
J Med Chem 56: 5464-72 (2013)
Novartis Institutes For Biomedical Research
The chlorite dismutase (HemQ) from Staphylococcus aureus has a redox-sensitive heme and is associated with the small colony variant phenotype.BDB
J Biol Chem 288: 23488-504 (2013)
University Of Notre Dame
Synthesis and biological evaluation of 4,5-dihydro-1H-pyrazole derivatives as potential nNOS/iNOS selective inhibitors. Part 2: Influence of diverse substituents in both the phenyl moiety and the acyl group.EBI
Bioorg Med Chem 21: 4132-42 (2013)
Universidad De Granada
Identification of 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles as new Pim kinase inhibitors.EBI
Bioorg Med Chem 21: 4102-11 (2013)
Clermont Universit£
BACE1 inhibitors: a head group scan on a series of amides.EBI
Bioorg Med Chem Lett 23: 4239-43 (2013)
F. Hoffmann-La Roche
Evaluation of thiazole containing biaryl analogs as diacylglycerol acyltransferase 1 (DGAT1) inhibitors.EBI
Eur J Med Chem 65: 337-47 (2013)
Piramal Enterprises
Stereoselective synthesis and anti-proliferative effects on prostate cancer evaluation of 5-substituted-3,4-diphenylfuran-2-ones.EBI
Eur J Med Chem 65: 323-36 (2013)
Henan University Of Traditional Chinese Medicine
Constrained H-Phe-Phe-NH2 analogues with high affinity to the substance P 1-7 binding site and with improved metabolic stability and cell permeability.EBI
J Med Chem 56: 4953-65 (2013)
Uppsala University
Chemistry, pharmacology, and behavioral studies identify chiral cyclopropanes as selectivea4▀2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile. Part II.EBI
J Med Chem 56: 5495-504 (2014)
University Of Illinois At Chicago
Thes2 receptor: a novel protein for the imaging and treatment of cancer.EBI
J Med Chem 56: 7137-60 (2013)
Washington University
Discovery of new PPAR? agonists based on arylopeptoids.EBI
Bioorg Med Chem Lett 23: 4162-5 (2013)
University Of Copenhagen
Synthesis of mixed (E,Z)-, (E)-, and (Z)-norendoxifen with dual aromatase inhibitory and estrogen receptor modulatory activities.EBI
J Med Chem 56: 4611-8 (2013)
Purdue University
Functionally selective dopamine D2/D3 receptor agonists comprising an enyne moiety.EBI
J Med Chem 56: 5130-41 (2013)
Friedrich-Alexander University
The development of a new class of inhibitors for betaine-homocysteine S-methyltransferase.EBI
Eur J Med Chem 65: 256-75 (2013)
Academy Of Sciences Of The Czech Republic
1-substituted apomorphines as potent dopamine agonists.EBI
Bioorg Med Chem 21: 4143-50 (2013)
University Of Tartu
N-Acyl-N'-arylpiperazines as negative allosteric modulators of mGlu1: identification of VU0469650, a potent and selective tool compound with CNS exposure in rats.EBI
Bioorg Med Chem Lett 23: 3713-8 (2013)
Vanderbilt University Medical Center
Macrocyclic inhibitors of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus.EBI
Bioorg Med Chem Lett 23: 3709-12 (2013)
Wichita State University
Discovery of non-LBD inhibitor for androgen receptor by structure-guide design.EBI
Bioorg Med Chem Lett 23: 3887-90 (2013)
Korea Research Institute Of Chemical Technology
Design, synthesis and biological evaluation of novel aminothiazoles as antiviral compounds acting against human rhinovirus.EBI
Bioorg Med Chem Lett 23: 3841-7 (2013)
Boehringer Ingelheim (Canada)
Heterocyclic modification of a novel bicyclo[3.1.0]hexane NPY1 receptor antagonist.EBI
Bioorg Med Chem Lett 23: 3814-7 (2013)
Bristol-Myers Squibb Research And Development
Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.EBI
Bioorg Med Chem Lett 23: 3741-8 (2013)
Novartis Institutes For Biomedical Research
Rhodanine-based PRL-3 inhibitors blocked the migration and invasion of metastatic cancer cells.EBI
Bioorg Med Chem Lett 23: 3769-74 (2013)
University Of Science And Technology
Affinity-based screening of MDM2/MDMX-p53 interaction inhibitors by chemical array: identification of novel peptidic inhibitors.EBI
Bioorg Med Chem Lett 23: 3802-5 (2013)
Kyoto University
Synthesis and biological evaluation of sorafenib- and regorafenib-like sEH inhibitors.EBI
Bioorg Med Chem Lett 23: 3732-7 (2013)
University Of California
Activity-lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments.EBI
Bioorg Med Chem Lett 23: 3728-31 (2013)
Universit£
Characterization of maleimide-based glycogen synthase kinase-3 (GSK-3) inhibitors as stimulators of steroidogenesis.EBI
J Med Chem 56: 5115-29 (2013)
University Of Illinois At Chicago
Quantitative analysis of histone demethylase probes using fluorescence polarization.EBI
J Med Chem 56: 5198-202 (2013)
University Of Colorado
An atom economic synthesis and AChE inhibitory activity of novel dispiro 7-aryltetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole and 4-aryloctahydroindolizine N-methylpiperidin-4-one hybrid heterocycles.EBI
Eur J Med Chem 65: 240-8 (2013)
Madurai Kamaraj University
The synthesis of neurotensin antagonist SR 48692 for prostate cancer research.EBI
Bioorg Med Chem 21: 4378-87 (2013)
Durham University
Opioid receptor selectivity profile change via isosterism for 14-O-substituted naltrexone derivatives.EBI
Bioorg Med Chem Lett 23: 3719-22 (2013)
Virginia Commonwealth University
The development of CNS-active LRRK2 inhibitors using property-directed optimisation.EBI
Bioorg Med Chem Lett 23: 3690-6 (2013)
The University Of Sydney
Identification of 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid (setipiprant/ACT-129968), a potent, selective, and orally bioavailable chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) antagonist.EBI
J Med Chem 56: 4899-911 (2013)
Actelion Pharmaceuticals
Discovery of two classes of potent glycomimetic inhibitors of Pseudomonas aeruginosa LecB with distinct binding modes.BDB
ACS Chem Biol 8: 1775-84 (2013)
University Of Konstanz
Discovery of novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as human chymase inhibitors using structure-based drug design.EBI
Bioorg Med Chem 21: 4233-49 (2013)
Asubio Pharma
Synthesis, biological evaluation and molecular modeling of substituted 2-aminobenzimidazoles as novel inhibitors of acetylcholinesterase and butyrylcholinesterase.EBI
Bioorg Med Chem 21: 4218-24 (2013)
Key Laboratory Of Combinatorial Biosynthesis And Drug Discovery (Wuhan University)
Synthesis and biological evaluation of a targeted DNA-binding transcriptional activator with HDAC8 inhibitory activity.EBI
Bioorg Med Chem 21: 4201-9 (2013)
Kyoto University
Structure-activity relationship studies and sleep-promoting activity of novel 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 2.EBI
Bioorg Med Chem Lett 23: 3857-63 (2013)
Actelion Pharmaceuticals
Metabolites from Microcystis aeruginosa bloom material collected at a water reservoir near Kibbutz Hafetz Haim, Israel.EBI
J Nat Prod 76: 1196-200 (2013)
Tel-Aviv University
Synthesis and pharmacological profiling of analogues of benzyl quinolone carboxylic acid (BQCA) as allosteric modulators of the M1 muscarinic receptor.EBI
J Med Chem 56: 5151-72 (2013)
Monash University
Designing allosteric regulators of thrombin. Exosite 2 features multiple subsites that can be targeted by sulfated small molecules for inducing inhibition.EBI
J Med Chem 56: 5059-70 (2013)
Virginia Commonwealth University
Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl) (3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM).EBI
J Med Chem 56: 5208-12 (2013)
Vanderbilt University Medical Center
8-Benzamidochromen-4-one-2-carboxylic acids: potent and selective agonists for the orphan G protein-coupled receptor GPR35.EBI
J Med Chem 56: 5182-97 (2013)
University Of Bonn
A potent and selective small-molecule inhibitor for the lymphoid-specific tyrosine phosphatase (LYP), a target associated with autoimmune diseases.EBI
J Med Chem 56: 4990-5008 (2013)
Indiana University School Of Medicine
Systematic structure modifications of multitarget prostate cancer drug candidate galeterone to produce novel androgen receptor down-regulating agents as an approach to treatment of advanced prostate cancer.EBI
J Med Chem 56: 4880-98 (2013)
University Of Maryland
Development and characterization of a promising fluorine-18 labelled radiopharmaceutical for in vivo imaging of fatty acid amide hydrolase.EBI
Bioorg Med Chem 21: 4351-7 (2013)
Centre For Addiction And Mental Health
The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel.EBI
Bioorg Med Chem Lett 23: 3848-51 (2013)
Takeda Pharmaceutical
Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 3.EBI
Bioorg Med Chem Lett 23: 3798-801 (2013)
Kitasato University
Synthesis and pharmacological properties of a new hydrophilic and orally bioavailable 5-HT4 antagonist.EBI
Eur J Med Chem 64: 629-37 (2013)
Drug Discovery Laboratory
Interfacial cavity filling to optimize CD4-mimetic miniprotein interactions with HIV-1 surface glycoprotein.EBI
J Med Chem 56: 5033-47 (2013)
Ibitecs, Cea
Re-evolution of the 2-phenylquinolines: ligand-based design, synthesis, and biological evaluation of a potent new class of Staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance.EBI
J Med Chem 56: 4975-89 (2013)
Universit£
A thienopyrimidine derivative induces growth inhibition and apoptosis in human cancer cell lines via inhibiting Aurora B kinase activity.EBI
Eur J Med Chem 65: 151-7 (2013)
Fudan University
Expanding chemical diversity of conotoxins: peptoid-peptide chimeras of the sodium channel blocker ?-KIIIA and its selenopeptide analogues.EBI
Eur J Med Chem 65: 144-50 (2013)
University Of Gdansk
Molecular design, synthesis and biological evaluation of BP-O-DAPY and O-DAPY derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors.EBI
Eur J Med Chem 65: 134-43 (2013)
Fudan University
Discovery of a small molecular compound simultaneously targeting RXR and HADC: design, synthesis, molecular docking and bioassay.EBI
Bioorg Med Chem Lett 23: 3891-5 (2013)
Shenyang Pharmaceutical University
The discovery of BMS-457, a potent and selective CCR1 antagonist.EBI
Bioorg Med Chem Lett 23: 3833-40 (2013)
Bristol-Myers Squibb
Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents.EBI
Bioorg Med Chem Lett 23: 3826-32 (2013)
College Of Pharmacy
Membrane anchoring┐-secretase modulators with terpene-derived moieties.EBI
Bioorg Med Chem Lett 23: 3852-6 (2013)
Technische Universit£T Darmstadt
Selectivity of phenothiazine cholinesterase inhibitors for neurotransmitter systems.EBI
Bioorg Med Chem Lett 23: 3822-5 (2013)
Dalhousie University
Hypoxia induced CA9 inhibitory targeting by two different sulfonamide derivatives including acetazolamide in human glioblastoma.EBI
Bioorg Med Chem 21: 3949-57 (2013)
University Of W£Rzburg
1,4-Diaryl-substituted triazoles as cyclooxygenase-2 inhibitors: Synthesis, biological evaluation and molecular modeling studies.EBI
Bioorg Med Chem 21: 4288-95 (2013)
University Of Alberta
Indazoles as potential c-Met inhibitors: design, synthesis and molecular docking studies.EBI
Eur J Med Chem 65: 112-8 (2013)
Guangdong Pharmaceutical University
Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.EBI
J Med Chem 56: 4320-42 (2013)
Amgen
Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme-Product Complex.BDB
Biochemistry 52: 4217-28 (2013)
Stony Brook University
Discovery of 7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamides as potent and selective CB(2) cannabinoid receptor inverse agonists.EBI
J Med Chem 56: 4482-96 (2013)
Universit£
Synthesis of some novel chalcones, flavanones and flavones and evaluation of their anti-inflammatory activity.EBI
Eur J Med Chem 65: 51-9 (2013)
Jamia Hamdard (Hamdard University)
Novel nicotinic acetylcholine receptor agonists containing carbonyl moiety as a hydrogen bond acceptor.EBI
Bioorg Med Chem Lett 23: 3927-34 (2013)
Targacept
In vitro and in vivo evaluation of polymethylene tetraamine derivatives as NMDA receptor channel blockers.EBI
Bioorg Med Chem Lett 23: 3901-4 (2013)
Chiba University
Structural optimization, biological evaluation, and application of peptidomimetic prostate specific antigen inhibitors.EBI
J Med Chem 56: 4224-35 (2013)
The Johns Hopkins University
Evaluation of adenine as scaffold for the development of novel P2X3 receptor antagonists.EBI
Eur J Med Chem 65: 41-50 (2013)
University Of Camerino
Synthesis and pharmacological evaluation of 2-aryloxy/arylamino-5-cyanobenzenesulfonylureas as novel thromboxane A2 receptor antagonists.EBI
Eur J Med Chem 65: 32-40 (2013)
University Of Liege
Synthesis of pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors of thymidine phosphorylase.EBI
Eur J Med Chem 65: 1-11 (2013)
National University Of Singapore
Development of time resolved fluorescence resonance energy transfer-based assay for FXR antagonist discovery.EBI
Bioorg Med Chem 21: 4266-78 (2013)
City Of Hope National Medical Center
Antagonism of L-type Ca2+ channels CaV1.3 and CaV1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics.EBI
Bioorg Med Chem 21: 4365-73 (2013)
Northwestern University
Screening and X-ray crystal structure-based optimization of autotaxin (ENPP2) inhibitors, using a newly developed fluorescence probe.BDB
ACS Chem Biol 8: 1713-21 (2013)
The University Of Tokyo
Design, synthesis, and initial evaluation of a high affinity positron emission tomography probe for imaging matrix metalloproteinases 2 and 9.EBI
J Med Chem 56: 4912-20 (2013)
Eth Zurich
The 2'-Trifluoromethyl Analogue of Indomethacin Is a Potent and Selective COX-2 Inhibitor.EBI
ACS Med Chem Lett 4: 486-490 (2013)
Vanderbilt University
Discovery of TUG-770: A Highly Potent Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist for Treatment of Type 2 Diabetes.EBI
ACS Med Chem Lett 4: 441-445 (2013)
University Of Southern Denmark
2-(3-Fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists: structure activity relationships of the 2-oxy pyridine C-region.EBI
Eur J Med Chem 64: 589-602 (2013)
Seoul National University
Influence of 4- or 5-substituents on the pyrrolidine ring of 5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin derivatives on their inhibitory activities towards caspases-3 and -7.EBI
Eur J Med Chem 64: 562-78 (2013)
Westf£Lische Wilhelms-Universit£T M£Nster
New insight into adenosine receptors selectivity derived from a novel series of [5-substituted-4-phenyl-1,3-thiazol-2-yl] benzamides and furamides.EBI
Eur J Med Chem 63: 924-34 (2013)
B.V. Patel Pharmaceutical Education And Research Development
Further studies on bis-charged tetraazacyclophanes as potent inhibitors of small conductance Ca(2+)-activated K+ channels.EBI
Eur J Med Chem 63: 907-23 (2013)
University College London
Design, synthesis and evaluation of novel tacrine-coumarin hybrids as multifunctional cholinesterase inhibitors against Alzheimer's disease.EBI
Eur J Med Chem 64: 540-53 (2013)
China Pharmaceutical University
Further studies on 2-arylacetamide pyridazin-3(2H)-ones: design, synthesis and evaluation of 4,6-disubstituted analogs as formyl peptide receptors (FPRs) agonists.EBI
Eur J Med Chem 64: 512-28 (2013)
Universit£
Design, synthesis and evaluation of retinoids with novel bulky hydrophobic partial structures.EBI
Bioorg Med Chem 21: 4342-50 (2013)
Research Foundation Itsuu Laboratory
Australian marine sponge alkaloids as a new class of glycine-gated chloride channel receptor modulator.EBI
Bioorg Med Chem 21: 4420-5 (2013)
The University Of Queensland
Potent suppression of c-di-GMP synthesis via I-site allosteric inhibition of diguanylate cyclases with 2'-F-c-di-GMP.EBI
Bioorg Med Chem 21: 4396-404 (2013)
University Of Maryland
Natural product hybrid and its superacid synthesized analogues: dodoneine and its derivatives show selective inhibition of carbonic anhydrase isoforms I, III, XIII and XIV.EBI
Bioorg Med Chem 21: 3790-4 (2013)
Superacid Group In Organic Synthesis Team-Universit£
Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.EBI
Bioorg Med Chem Lett 23: 3818-21 (2013)
University Of California
Spongiacidin C, a pyrrole alkaloid from the marine sponge Stylissa massa, functions as a USP7 inhibitor.EBI
Bioorg Med Chem Lett 23: 3884-6 (2013)
Kumamoto University
Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: role of the chirality on the biological activity.EBI
Bioorg Med Chem 21: 3780-9 (2013)
Universit£
Synthesis of organic nitrates of luteolin as a novel class of potent aldose reductase inhibitors.EBI
Bioorg Med Chem 21: 4301-10 (2013)
Xiangtan University
20(S)-Protopanaxadiol (PPD) analogues chemosensitize multidrug-resistant cancer cells to clinical anticancer drugs.EBI
Bioorg Med Chem 21: 4279-87 (2013)
Chinese Academy Of Sciences
Synthesis and SAR of potent and selective tetrahydropyrazinoisoquinolinone 5-HT(2C) receptor agonists.EBI
Bioorg Med Chem Lett 23: 3914-9 (2013)
Bristol-Myers Squibb Research And Development
Synthesis and evaluation of 8-amino-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives as glycogen synthase kinase-3 (GSK-3) inhibitors.EBI
Bioorg Med Chem Lett 23: 3983-7 (2013)
Jeil Pharmaceutical
Synthesis of kojic acid derivatives as secondary binding site probes of D-amino acid oxidase.EBI
Bioorg Med Chem Lett 23: 3910-3 (2013)
Johns Hopkins University
Selective Small Molecule Probes for the Hypoxia Inducible Factor (HIF) Prolyl Hydroxylases.BDB
ACS Chem Biol 8: 1488-96 (2013)
University Of Oxford
A Bivalent Ligand Targeting the Putative Mu Opioid Receptor and Chemokine Receptor CCR5 Heterodimers: Binding Affinity versus Functional Activities.EBI
Medchemcomm 4: 847-851 (2013)
Virginia Commonwealth University
Synthesis and receptor binding studies of novel 4,4-disubstituted arylalkyl/arylalkylsulfonyl piperazine and piperidine-based derivatives as a new class ofs1 ligands.EBI
Eur J Med Chem 64: 488-97 (2013)
Nstri
A class of pyrrole derivatives endowed with analgesic/anti-inflammatory activity.EBI
Bioorg Med Chem 21: 3695-701 (2013)
Universit£
Antagonists for the orphan G-protein-coupled receptor GPR55 based on a coumarin scaffold.EBI
J Med Chem 56: 4798-810 (2013)
University Of Bonn
Medicinal chemistry of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors.EBI
J Med Chem 56: 6279-96 (2013)
Universit£
X-ray crystal structures of the Escherichia coli RNA polymerase in complex with benzoxazinorifamycins.EBI
J Med Chem 56: 4758-63 (2013)
The Pennsylvania State University
Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for treatment of type 2 diabetes.EBI
J Med Chem 56: 5094-114 (2013)
Glaxosmithkline
Identification of M. tuberculosis thioredoxin reductase inhibitors based on high-throughput docking using constraints.EBI
J Med Chem 56: 4849-59 (2013)
Msd Animal Health Innovation
Synthesis and biological investigation of coumarin piperazine (piperidine) derivatives as potential multireceptor atypical antipsychotics.EBI
J Med Chem 56: 4671-90 (2013)
Huazhong University Of Science And Technology
Synthesis and pharmacological characterization of 4-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates: identification of new potent and selective metabotropic glutamate 2/3 receptor agonists.EBI
J Med Chem 56: 4442-55 (2013)
Eli Lilly
Synthesis and biological evaluation of 18F-labled 2-phenylindole derivatives as PET imaging probes for ?-amyloid plaques.EBI
Bioorg Med Chem 21: 3708-14 (2013)
Beijing Normal University
Synthesis, biological evaluation, and molecular docking studies of novel 1,3,4-oxadiazole derivatives possessing benzotriazole moiety as FAK inhibitors with anticancer activity.EBI
Bioorg Med Chem 21: 3723-9 (2013)
Nanjing University
Identification of potent and orally bioavailable nucleotide competing reverse transcriptase inhibitors: in vitro and in vivo optimization of a series of benzofurano[3,2-d]pyrimidin-2-one derived inhibitors.EBI
Bioorg Med Chem Lett 23: 3967-75 (2013)
Boehringer Ingelheim (Canada)
Contributions of academic laboratories to the discovery and development of chemical biology tools.EBI
J Med Chem 56: 7161-76 (2013)
University Of Pittsburgh
Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase.EBI
J Med Chem 57: 1902-13 (2014)
Glaxosmithkline
Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease.EBI
J Med Chem 57: 1753-69 (2014)
Array Biopharma
Fragment-based ligand design of novel potent inhibitors of tankyrases.EBI
J Med Chem 56: 4497-508 (2013)
Nanyang Technological University
Discovery of the first histone deacetylase 6/8 dual inhibitors.EBI
J Med Chem 56: 4816-20 (2013)
Broad Institute Of Mit And Harvard
New azole antagonists with high affinity for the P2Y(1) receptor.EBI
Bioorg Med Chem Lett 23: 3519-22 (2013)
Bristol-Myers Squibb
Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.EBI
Bioorg Med Chem Lett 23: 3531-8 (2013)
Genentech
Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 inhibitors.EBI
J Med Chem 56: 4521-36 (2013)
Genentech
Novel hybrids of (phenylsulfonyl)furoxan and anilinopyrimidine as potent and selective epidermal growth factor receptor inhibitors for intervention of non-small-cell lung cancer.EBI
J Med Chem 56: 4738-48 (2013)
China Pharmaceutical University
Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode.EBI
J Med Chem 56: 4264-76 (2013)
Boehringer Ingelheim Rcv
Optimization of benzoxazole-based inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase.EBI
J Med Chem 56: 4028-43 (2013)
Brandeis University
Manzamine A, a marine-derived alkaloid, inhibits accumulation of cholesterol ester in macrophages and suppresses hyperlipidemia and atherosclerosis in vivo.EBI
Bioorg Med Chem 21: 3831-8 (2013)
Kumamoto University
Synthesis and antiproliferative activity of 4-substituted-piperazine-1-carbodithioate derivatives of 2,4-diaminoquinazoline.EBI
Eur J Med Chem 64: 401-9 (2013)
Capital Normal University
Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.EBI
Bioorg Med Chem Lett 23: 3565-9 (2013)
Roche Palo Alto
Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.EBI
Bioorg Med Chem Lett 23: 3584-8 (2013)
Glaxosmithkline
Solid phase synthesis and biological evaluation of probestin as an angiogenesis inhibitor.EBI
Bioorg Med Chem Lett 23: 3561-4 (2013)
The University Of Oklahoma Health Sciences Center
Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1).EBI
Bioorg Med Chem Lett 23: 3662-6 (2013)
Takeda California
Development of a triclosan scaffold which allows for adaptations on both the A- and B-ring for transport peptides.EBI
Bioorg Med Chem Lett 23: 3551-5 (2013)
University Of Leeds
Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening.EBI
Bioorg Med Chem Lett 23: 3496-9 (2013)
East China University Of Science And Technology
Caffeic acid derivatives: a new type of influenza neuraminidase inhibitors.EBI
Bioorg Med Chem Lett 23: 3556-60 (2013)
Shandong University
Novel 1H-imidazol-2-amine derivatives as potent and orally active vascular adhesion protein-1 (VAP-1) inhibitors for diabetic macular edema treatment.EBI
Bioorg Med Chem 21: 3873-81 (2013)
Astellas Pharma
Design, synthesis, quantum chemical studies and biological activity evaluation of pyrazole-benzimidazole derivatives as potent Aurora A/B kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 3523-30 (2013)
Xuzhou Medical College
In vitro study of isoflavones and isoflavans as potent inhibitors of human 12- and 15-lipoxygenases.BDB
Chem Biol Drug Des 82: 317-25 (2013)
Universidad De Santiago De Chile
Design, synthesis and biological evaluation of novel inosine 5'-monophosphate dehydrogenase (IMPDH) inhibitors.BDB
J Enzyme Inhib Med Chem 29: 408-19 (2014)
Nycomed
Discovery of 2-{3-[2-(1-isopropyl-3-methyl-1H-1,2-4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl]-1H-pyrazol-1-yl}-2-methylpropanamide (GDC-0032): a▀-sparing phosphoinositide 3-kinase inhibitor with high unbound exposure and robust in vivo antitumor activity.EBI
J Med Chem 56: 4597-610 (2013)
Genentech
Development of oleanane-type triterpenes as a new class of HCV entry inhibitors.EBI
J Med Chem 56: 4300-19 (2013)
Peking University
Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase.BDB
J Biol Chem 288: 18260-70 (2013)
Uppsala University
Functional consequences of retro-inverso isomerization of a miniature protein inhibitor of the p53-MDM2 interaction.EBI
Bioorg Med Chem 21: 4045-50 (2013)
Southwest University
Evaluation of selective inhibitors of 11▀-HSD1 for the treatment of hypertension.EBI
Bioorg Med Chem Lett 23: 3650-3 (2013)
Merck
Design, synthesis and structure activity relationships of spirocyclic compounds as potent CCR1 antagonists.EBI
Bioorg Med Chem Lett 23: 3500-4 (2013)
Astrazeneca
Study of binding thermodynamics in the optimization of BH3 mimetics.BDB
Chem Biol Drug Des 82: 394-400 (2013)
Dalian University Of Technology
Neocosmospora sp.-derived resorcylic acid lactones with in vitro binding affinity for human opioid and cannabinoid receptors.EBI
J Nat Prod 76: 824-8 (2013)
The University Of Mississippi
Spirohexenolide A targets human macrophage migration inhibitory factor (hMIF).EBI
J Nat Prod 76: 817-23 (2013)
University Of California-San Diego
Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2.EBI
J Med Chem 56: 4764-85 (2013)
Genentech
Discovery of potent, selective chymase inhibitors via fragment linking strategies.EBI
J Med Chem 56: 4465-81 (2013)
Boehringer Ingelheim Pharmaceuticals
Bifunctional inhibition of human immunodeficiency virus type 1 reverse transcriptase: mechanism and proof-of-concept as a novel therapeutic design strategy.EBI
J Med Chem 56: 3959-68 (2013)
Yale University
1-Phenyl-4-benzoyl-1H-1,2,3-triazoles as orally bioavailable transcriptional function suppressors of estrogen-related receptora.EBI
J Med Chem 56: 4631-40 (2013)
Chinese Academy Of Sciences
Synthesis, 18F-radiolabeling, and in vivo biodistribution studies of N-fluorohydroxybutyl isatin sulfonamides using positron emission tomography.EBI
J Med Chem 56: 4509-20 (2013)
Westf£Lische Wilhelms-Universit£T M£Nster
Binding mechanism of the farnesoid X receptor marine antagonist suvanine reveals a strategy to forestall drug modulation on nuclear receptors. Design, synthesis, and biological evaluation of novel ligands.EBI
J Med Chem 56: 4701-17 (2013)
Istituto Italiano Di Tecnologia
X-ray crystal structure of ERK5 (MAPK7) in complex with a specific inhibitor.EBI
J Med Chem 56: 4413-21 (2013)
University Of Oxford
Optimized method of G-protein-coupled receptor homology modeling: its application to the discovery of novel CXCR7 ligands.EBI
J Med Chem 56: 4236-51 (2013)
Pharmadesign
Optimized chemical probes for REV-ERBa.EBI
J Med Chem 56: 4729-37 (2013)
Glaxosmithkline
A novel benzazepinone sodium channel blocker with oral efficacy in a rat model of neuropathic pain.EBI
Bioorg Med Chem Lett 23: 3640-5 (2013)
Merck Research Laboratories
Synthesis and biological evaluation of C-glucosides with azulene rings as selective SGLT2 inhibitors for the treatment of type 2 diabetes mellitus: discovery of YM543.EBI
Bioorg Med Chem 21: 3934-48 (2013)
Astellas Pharmaceutical
Design and selection parameters to accelerate the discovery of novel central nervous system positron emission tomography (PET) ligands and their application in the development of a novel phosphodiesterase 2A PET ligand.EBI
J Med Chem 56: 4568-79 (2013)
Pfizer
Structure-activity relationship of N,N'-disubstituted pyrimidinetriones as Ca(V)1.3 calcium channel-selective antagonists for Parkinson's disease.EBI
J Med Chem 56: 4786-97 (2013)
Northwestern University
Synthesis, pharmacological characterization, and docking analysis of a novel family of diarylisoxazoles as highly selective cyclooxygenase-1 (COX-1) inhibitors.EBI
J Med Chem 56: 4277-99 (2013)
Universit£
Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design.EBI
J Med Chem 56: 4402-12 (2013)
The Ohio State University
A potent bivalent Smac mimetic (SM-1200) achieving rapid, complete, and durable tumor regression in mice.EBI
J Med Chem 56: 3969-79 (2013)
University Of Michigan
The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1.EBI
Bioorg Med Chem Lett 23: 3620-6 (2013)
Sanofi
Discovery and optimization of arylsulfonyl 3-(pyridin-2-yloxy)anilines as novel GPR119 agonists.EBI
Bioorg Med Chem Lett 23: 3609-13 (2013)
Amgen
Dieckol, a SARS-CoV 3CL(pro) inhibitor, isolated from the edible brown algae Ecklonia cava.EBI
Bioorg Med Chem 21: 3730-7 (2013)
Korea Research Institute Of Bioscience And Biotechnology
Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.EBI
Bioorg Med Chem 21: 4011-9 (2013)
Biogen Idec
Xanthates and trithiocarbonates strongly inhibit carbonic anhydrases and show antiglaucoma effects in vivo.EBI
J Med Chem 56: 4691-700 (2013)
Universit£
Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.EBI
J Med Chem 56: 3922-35 (2013)
Max Institute Of Psychiatry
Low molecular weight dual inhibitors of factor Xa and fibrinogen binding to GPIIb/IIIa with highly overlapped pharmacophores.EBI
Eur J Med Chem 64: 302-13 (2013)
University Of Ljubljana
Synthesis and biological characterization of spiro[2H-(1,3)-benzoxazine-2,4'-piperidine] based histone deacetylase inhibitors.EBI
Eur J Med Chem 64: 273-84 (2013)
Congenia
Synthesis and evaluation of 4-substituted coumarins as novel acetylcholinesterase inhibitors.EBI
Eur J Med Chem 64: 252-9 (2013)
University Of Zanjan
Synthesis and biological evaluation of novel phosphatidylinositol 3-kinase inhibitors: Solubilized 4-substituted benzimidazole analogs of 2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole (ZSTK474).EBI
Eur J Med Chem 64: 137-47 (2013)
University Of Auckland
Discovery of novel bromophenol 3,4-dibromo-5-(2-bromo-3,4-dihydroxy-6-(isobutoxymethyl)benzyl)benzene-1,2-diol as protein tyrosine phosphatase 1B inhibitor and its anti-diabetic properties in C57BL/KsJ-db/db mice.EBI
Eur J Med Chem 64: 129-36 (2013)
Chinese Academy Of Sciences
Design, synthesis and antitumour activity of bisquinoline derivatives connected by 4-oxy-3-fluoroaniline moiety.EBI
Eur J Med Chem 64: 62-73 (2013)
Shenyang Pharmaceutical University
Structure-activity relationship of human glutaminyl cyclase inhibitors having an N-(5-methyl-1H-imidazol-1-yl)propyl thiourea template.EBI
Bioorg Med Chem 21: 3821-30 (2013)
Seoul National University
Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.EBI
Bioorg Med Chem Lett 23: 3592-8 (2013)
Argenta Discovery
Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315.EBI
Bioorg Med Chem Lett 23: 3654-61 (2013)
University Of Kansas Specialized Chemistry Center
From a4▀2 Nicotinic Ligands to the Discovery of s1 Receptor Ligands: Pharmacophore Analysis and Rational Design.EBI
ACS Med Chem Lett 3: 1054-1058 (2012)
TBA
Synthetic chalcones and sulfonamides as new classes of Yersinia enterocolitica YopH tyrosine phosphatase inhibitors.EBI
Eur J Med Chem 64: 35-41 (2013)
Universidade Federal De Santa Catarina
Development of peptidomimetic boronates as proteasome inhibitors.EBI
Eur J Med Chem 64: 23-34 (2013)
Universit£
Synthesis of proline analogues as potent and selective cathepsin S inhibitors.EBI
Bioorg Med Chem Lett 23: 3140-4 (2013)
Hanmi Research Center
NO-donating tacrine derivatives as potential butyrylcholinesterase inhibitors with vasorelaxation activity.EBI
Bioorg Med Chem Lett 23: 3162-5 (2013)
China Pharmaceutical University
Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe.EBI
Bioorg Med Chem Lett 23: 3248-52 (2013)
Vanderbilt University Medical Center
Design, synthesis and biological evaluation of indeno[1,2-d]thiazole derivatives as potent histone deacetylase inhibitors.EBI
Bioorg Med Chem Lett 23: 3200-3 (2013)
Central South University
Modular, efficient synthesis of asymmetrically substituted piperazine scaffolds as potent calcium channel blockers.EBI
Bioorg Med Chem Lett 23: 3257-61 (2013)
University Of British Columbia
Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125).EBI
J Med Chem 56: 4343-56 (2013)
Shionogi Pharmaceutical Research Center
Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells.EBI
J Med Chem 56: 3996-4016 (2013)
Johns Hopkins University School Of Medicine
Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors.EBI
Bioorg Med Chem 21: 2960-7 (2013)
Nankai University
Discovery of potent transient receptor potential vanilloid 1 antagonists: design and synthesis of phenoxyacetamide derivatives.EBI
Bioorg Med Chem Lett 23: 3154-6 (2013)
Toray Industries
Discovery of (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide (BMS-742413): a potent human CGRP antagonist with superior safety profile for the treatment of migraine through intranasal delivery.EBI
Bioorg Med Chem Lett 23: 3157-61 (2013)
Bristol-Myers Squibb R & D
Structural, kinetic, and pharmacodynamic mechanisms of D-amino acid oxidase inhibition by small molecules.EBI
J Med Chem 56: 3710-24 (2013)
Sunovion Pharmaceuticals
Design, synthesis, and biological evaluation of aminoalkylindole derivatives as cannabinoid receptor ligands with potential for treatment of alcohol abuse.EBI
J Med Chem 56: 4537-50 (2013)
The University Of Kansas
Matrix metalloproteinase inhibitors based on the 3-mercaptopyrrolidine core.EBI
J Med Chem 56: 4357-73 (2013)
Florida State University
Dual targeting of adenosine A(2A) receptors and monoamine oxidase B by 4H-3,1-benzothiazin-4-ones.EBI
J Med Chem 56: 4580-96 (2013)
University Of Bonn
Exploiting drug-resistant enzymes as tools to identify thienopyrimidinone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.EBI
J Med Chem 56: 5436-45 (2013)
National Cancer Institute
Discovery of novel 4-(2-fluorophenoxy)quinoline derivatives bearing 4-oxo-1,4-dihydrocinnoline-3-carboxamide moiety as c-Met kinase inhibitors.EBI
Bioorg Med Chem 21: 2843-55 (2013)
Shenyang Pharmaceutical University
Conformational restriction in a series of GPR119 agonists: differences in pharmacology between mouse and human.EBI
Bioorg Med Chem Lett 23: 3175-9 (2013)
Astrazeneca
Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.EBI
Bioorg Med Chem Lett 23: 3186-94 (2013)
Genentech
Design, synthesis, and molecular modeling of novel pyrido[2,3-d]pyrimidine analogues as antifolates; application of Buchwald-Hartwig aminations of heterocycles.EBI
J Med Chem 56: 4422-41 (2013)
Duquesne University
Synthesis and structure activity relationship of tetrahydroisoquinoline-based potentiators of GluN2C and GluN2D containing N-methyl-D-aspartate receptors.EBI
J Med Chem 56: 5351-81 (2014)
Emory University
CROSS: an efficient workflow for reaction-driven rescaffolding and side-chain optimization using robust chemical reactions and available reagents.EBI
J Med Chem 56: 4656-70 (2013)
Sanofi-Aventis Deutschland
Development and therapeutic implications of selective histone deacetylase 6 inhibitors.EBI
J Med Chem 56: 6297-313 (2013)
University Of Illinois At Chicago
Design and synthesis of novel opioid ligands with an azabicyclo[2.2.2]octane skeleton having a 7-amide side chain and their pharmacologies.EBI
Bioorg Med Chem 21: 3032-50 (2013)
Kitasato University
Modification of agonist binding moiety in hybrid derivative 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-1-ol/-2-amino versions: impact on functional activity and selectivity for dopamine D2/D3 receptors.EBI
Bioorg Med Chem 21: 3164-74 (2013)
Wayne State University
Development of cell-active non-peptidyl inhibitors of cysteine cathepsins.EBI
Bioorg Med Chem 21: 2975-87 (2013)
The City University Of New York
Synthetic approaches to the 2011 new drugs.EBI
Bioorg Med Chem 21: 2795-825 (2013)
Shenogen Pharma Group
7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors.EBI
Bioorg Med Chem 21: 2868-78 (2013)
Dainippon Sumitomo Pharma
Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.EBI
Bioorg Med Chem Lett 23: 3149-53 (2013)
Genentech
Effect of anchoring 4-anilidopiperidines to opioid peptides.EBI
Bioorg Med Chem Lett 23: 3434-7 (2013)
University Of Arizona
Synthesis and antifungal evaluation of pentyloxyl-diphenylisoxazoloyl pneumocandins and echinocandins.EBI
Bioorg Med Chem Lett 23: 3253-6 (2013)
Merck Research Laboratories
Designing bifunctional NOP receptor-mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I.EBI
Bioorg Med Chem Lett 23: 3308-13 (2013)
Astraea Therapeutics
Human acidic mammalian chitinase as a novel target for anti-asthma drug design using in silico screening.EBI
Bioorg Med Chem 21: 3214-20 (2013)
Kitasato University
Selective CB2 agonists with anti-pruritic activity: discovery of potent and orally available bicyclic 2-pyridones.EBI
Bioorg Med Chem 21: 3154-63 (2013)
Shionogi Pharmaceutical Research Center
Design and synthesis of 1-(benzothiazol-5-yl)-1H-1,2,4-triazol-5-ones as protoporphyrinogen oxidase inhibitors.EBI
Bioorg Med Chem 21: 3245-55 (2013)
Central China Normal University
Synthesis and carbonic anhydrase inhibitory properties of sulfamides structurally related to dopamine.EBI
Bioorg Med Chem 21: 2925-31 (2013)
Atat£Rk University
Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.EBI
Bioorg Med Chem Lett 23: 3358-63 (2013)
Pfizer
Dual-acting histone deacetylase-topoisomerase I inhibitors.EBI
Bioorg Med Chem Lett 23: 3283-7 (2013)
Georgia Institute Of Technology
Novel adamantyl cannabinoids as CB1 receptor probes.EBI
J Med Chem 56: 3904-21 (2013)
Northeastern University
Probes for narcotic receptor mediated phenomena. 47. Novel C4a- and N-substituted-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ols.EBI
Bioorg Med Chem 21: 3298-309 (2013)
National Institute On Drug Abuse And The National Institute On Alcohol Abuse And Alcoholism
Discovery of 3-phenyl-1H-5-pyrazolylamine derivatives containing a urea pharmacophore as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3).EBI
Bioorg Med Chem 21: 2856-67 (2013)
National Health Research Institutes
Evaluation of N-phenyl homopiperazine analogs as potential dopamine D3 receptor selective ligands.EBI
Bioorg Med Chem 21: 2988-98 (2013)
Washington University
Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (Nampt) inhibitors.EBI
J Med Chem 56: 4921-37 (2013)
Forma Therapeutics
The A128T resistance mutation reveals aberrant protein multimerization as the primary mechanism of action of allosteric HIV-1 integrase inhibitors.BDB
J Biol Chem 288: 15813-20 (2013)
The Ohio State University
Development of 2'-substituted (2S,1'R,2'S)-2-(carboxycyclopropyl)glycine analogues as potent N-methyl-d-aspartic acid receptor agonists.EBI
J Med Chem 56: 4071-81 (2013)
University Of Copenhagen
Synthesis and in vitro and in vivo characterization of highlyß1-selectiveß-adrenoceptor partial agonists.EBI
J Med Chem 56: 3852-65 (2013)
University Of Nottingham
Identification and Characterization of a New Chemotype of Noncovalent SENP Inhibitors.BDB
ACS Chem Biol 8: 1435-41 (2013)
Beckman Research Institute Of The City Of Hope
Structure-based fragment screening is demonstrated to be a practical lead discovery method for a representative G-protein-coupled receptor.EBI
J Med Chem 56: 3444-5 (2013)
Pfizer
Discovery of a new class of highly potent inhibitors of acid ceramidase: synthesis and structure-activity relationship (SAR).EBI
J Med Chem 56: 3518-30 (2013)
Fondazione Istituto Italiano Di Tecnologia
The kinetic deuterium isotope effect as applied to metabolic deactivation of imatinib to the des-methyl metabolite, CGP74588.EBI
Bioorg Med Chem 21: 3231-9 (2013)
Novartis Institutes For Biomedical Research
The systematic structure-activity relationship to predict how flavones bind to human androgen receptor for their antagonistic activity.EBI
Bioorg Med Chem 21: 2968-74 (2013)
Meijo University
Skeletal rearrangement of seven-membered iminosugars: synthesis of (-)-adenophorine, (-)-1-epi-adenophorine and derivatives and evaluation as glycosidase inhibitors.EBI
Bioorg Med Chem 21: 4803-12 (2013)
Universit£
Protein kinase inhibitor design by targeting the Asp-Phe-Gly (DFG) motif: the role of the DFG motif in the design of epidermal growth factor receptor inhibitors.EBI
J Med Chem 56: 3889-903 (2013)
National Health Research Institutes
Inhibition of rhodesain as a novel therapeutic modality for human African trypanosomiasis.EBI
J Med Chem 56: 5637-58 (2014)
Universit£
Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.EBI
ACS Med Chem Lett 4: 423-427 (2013)
Prenylx Research Institute
Discovery of natural estrogen receptor modulators with structure-based virtual screening.EBI
Bioorg Med Chem Lett 23: 3329-33 (2013)
East China University Of Science And Technology
Chalcones, inhibitors for topoisomerase I and cathepsin B and L, as potential anti-cancer agents.EBI
Bioorg Med Chem Lett 23: 3320-4 (2013)
Cha University
Synthesis of novel analogs of cabergoline: improving cardiovascular safety by removing 5-HT2B receptor agonism.EBI
ACS Med Chem Lett 4: 254-258 (2013)
University Of Minnesota
3D-QSAR Assisted Design, Synthesis and Evaluation of Novobiocin Analogues.EBI
ACS Med Chem Lett 4: 57-62 (2012)
The University Of Kansas
Structure-guided design of a selective BCL-X(L) inhibitor.BDB
Nat Chem Biol 9: 390-7 (2013)
Walter And Eliza Hall Institute Of Medical Research
Triazolothiadiazoles and triazolothiadiazines--biologically attractive scaffolds.EBI
Eur J Med Chem 63: 854-68 (2013)
Quaid-I-Azam University
Design, synthesis and pharmacological characterization of analogs of 2-aminoethyl diphenylborinate (2-APB), a known store-operated calcium channel blocker, for inhibition of TRPV6-mediated calcium transport.EBI
Bioorg Med Chem 21: 3202-13 (2013)
University Of Bern
Design, synthesis and biological evaluation of novel pyrimidine, 3-cyanopyridine and m-amino-N-phenylbenzamide based monocyclic EGFR tyrosine kinase inhibitors.EBI
Bioorg Med Chem 21: 3090-104 (2013)
Chinese Academy Of Sciences
The discovery of colchicine-SAHA hybrids as a new class of antitumor agents.EBI
Bioorg Med Chem 21: 3240-4 (2013)
East China Normal University
Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives.EBI
Bioorg Med Chem 21: 3022-31 (2013)
Universiti Sains Malaysia
An analysis of the synthetic tryptamines AMT and 5-MeO-DALT: emerging 'Novel Psychoactive Drugs'.EBI
Bioorg Med Chem Lett 23: 3411-5 (2013)
Ucl School Of Pharmacy
Cyclic peptides containing tryptophan and arginine as Src kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 3230-4 (2013)
University Of Rhode Island
Discovery of diarylurea P2Y(1) antagonists with improved aqueous solubility.EBI
Bioorg Med Chem Lett 23: 3239-43 (2013)
Bristol-Myers Squibb
Novel adenosine A(2A) receptor ligands: a synthetic, functional and computational investigation of selected literature adenosine A(2A) receptor antagonists for extending into extracellular space.EBI
Bioorg Med Chem Lett 23: 3427-33 (2013)
Monash University (Parkville Campus)
Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.EBI
Bioorg Med Chem Lett 23: 3325-8 (2013)
Daiichi Sankyo
Tri-substituted imidazole analogues of SB203580 as inducers for cardiomyogenesis of human embryonic stem cells.EBI
Bioorg Med Chem Lett 23: 3300-3 (2013)
Institute Of Chemical And Engineering Sciences
Conformation constraint of anilides enabling the discovery of tricyclic lactams as potent MK2 non-ATP competitive inhibitors.EBI
Bioorg Med Chem Lett 23: 3262-6 (2013)
Merck Research Laboratories
Synthesis and biological evaluation of Esaprazole analogues showings1 binding and neuroprotective properties in vitro.EBI
Bioorg Med Chem 21: 3334-47 (2013)
Nensius Research
Synthesis and biological evaluation of novel styryl benzimidazole derivatives as probes for imaging of neurofibrillary tangles in Alzheimer's disease.EBI
Bioorg Med Chem 21: 3356-62 (2013)
Kyoto University
Radiosynthesis and evaluation of [11C]EMPA as a potential PET tracer for orexin 2 receptors.EBI
Bioorg Med Chem Lett 23: 3389-92 (2013)
Harvard Medical School
2-(1H-Pyrazol-4-yl)acetic acids as CRTh2 antagonists.EBI
Bioorg Med Chem Lett 23: 3349-53 (2013)
RhôNe-Poulenc Rorer
Therapeutic and pharmacokinetic characterizations of an anti-amyloidogenic bis-styrylbenzene derivative for Alzheimer's disease treatment.EBI
Bioorg Med Chem Lett 23: 3467-9 (2013)
Korea Institute Of Science And Technology
Design, synthesis, and biological evaluation of novel histone deacetylase 1 inhibitors through click chemistry.EBI
Bioorg Med Chem Lett 23: 3295-9 (2013)
Chinese Academy Of Sciences
Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.EBI
J Med Chem 56: 4082-92 (2013)
Xavier University Of Louisiana
Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.EBI
J Med Chem 56: 3768-82 (2013)
H. Lee Moffitt Cancer Center And Research Institute
Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant.EBI
J Med Chem 56: 3531-45 (2013)
Korea Institute Of Science And Technology (Kaist)
Synthesis and evaluation of N-substituted nipecotic acid derivatives with an unsymmetrical bis-aromatic residue attached to a vinyl ether spacer as potential GABA uptake inhibitors.EBI
Bioorg Med Chem 21: 3363-78 (2013)
Ludwig-Maximilians-University Munich
Design and synthesis of L- and D-phenylalanine derived rhodanines with novel C5-arylidenes as inhibitors of HCV NS5B polymerase.EBI
Bioorg Med Chem 21: 3262-71 (2013)
St. John'S University
Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor.EBI
Bioorg Med Chem 21: 3175-96 (2013)
Daiichi Sankyo
Pyrrolidine analogs of GZ-793A: synthesis and evaluation as inhibitors of the vesicular monoamine transporter-2 (VMAT2).EBI
Bioorg Med Chem Lett 23: 3342-5 (2013)
University Of Arkansas For Medical Sciences
1,1-Difluoroethyl-substituted triazolothienopyrimidines as inhibitors of a human urea transport protein (UT-B): new analogs and binding model.EBI
Bioorg Med Chem Lett 23: 3338-41 (2013)
San Francisco State University
Discovery of potent selective bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model. Part II: optimization studies and demonstration of in vivo efficacy.EBI
Bioorg Med Chem Lett 23: 3443-7 (2013)
Pfizer
Inhibition of apurinic/apyrimidinic endonuclease I's redox activity revisited.BDB
Biochemistry 52: 2955-66 (2013)
Indiana University School Of Medicine
Rational design and binding mode duality of MDM2-p53 inhibitors.EBI
J Med Chem 56: 4053-70 (2013)
Amgen
Structure-based approaches to ligands for G-protein-coupled adenosine and P2Y receptors, from small molecules to nanoconjugates.EBI
J Med Chem 56: 3749-67 (2013)
National Institute Of Diabetes And Digestive And Kidney Diseases
Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase.EBI
J Med Chem 56: 3467-77 (2013)
Tufts University Sackler School Of Biomedical Sciences
Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer.BDB
ACS Chem Biol 8: 1423-8 (2013)
Chinese Academy Of Sciences
Evaluating the Role of Macrocycles in the Susceptibility of Hepatitis C Virus NS3/4A Protease Inhibitors to Drug Resistance.BDB
ACS Chem Biol 8: 1469-78 (2013)
University Of Massachusetts Medical School
Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part II).EBI
Bioorg Med Chem Lett 23: 3421-6 (2013)
Sanofi Us
A cyclodextrin-capped histone deacetylase inhibitor.EBI
Bioorg Med Chem Lett 23: 3346-8 (2013)
University Of Sussex
Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part I).EBI
Bioorg Med Chem Lett 23: 3416-20 (2013)
Sanofi Us
ß-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.EBI
J Med Chem 56: 3980-95 (2013)
F. Hoffmann-La Roche
Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 2863-7 (2013)
Merck Research Laboratories
Kappa-opioid receptor-selective dicarboxylic ester-derived salvinorin A ligands.EBI
Bioorg Med Chem Lett 23: 2860-2 (2013)
University Of Mississippi
A small molecule inhibitor of fungal histone acetyltransferase Rtt109.EBI
Bioorg Med Chem Lett 23: 2853-9 (2013)
University Of Massachusetts Medical School
Recent advances in malaria drug discovery.EBI
Bioorg Med Chem Lett 23: 2829-43 (2013)
Drug Discovery For Tropical Diseases
Development of a selective peptide macrocycle inhibitor of coagulation factor XII toward the generation of a safe antithrombotic therapy.EBI
J Med Chem 56: 3742-6 (2013)
Ecole Polytechnique F�D�Rale De Lausanne Epfl
Pyridine-substituted desoxyritonavir is a more potent inhibitor of cytochrome P450 3A4 than ritonavir.EBI
J Med Chem 56: 3733-41 (2013)
University Of California
Thiophene-core estrogen receptor ligands having superagonist activity.EBI
J Med Chem 56: 3346-66 (2013)
Key Laboratory Of Combinatorial Biosynthesis And Drug Discovery (Wuhan University)
Synthesis and EBI
Medchemcomm 4: 443-449 (2013)
Washington University School Of Medicine
Inhibition of Ras-Effector Interaction by Cyclic Peptides.EBI
Medchemcomm 4: 378-382 (2013)
The Ohio State University
Tuned-Affinity Bivalent Ligands for the Characterization of Opioid Receptor Heteromers.EBI
ACS Med Chem Lett 3: 640-644 (2012)
TBA
Antibacterial oxazolidinone analogues having a N-hydroxyacetyl-substituted seven-membered [1,2,5]triazepane or [1,2,5]oxadiazepane C-ring unit.EBI
Eur J Med Chem 63: 811-25 (2013)
Research Foundation Itsuu Laboratory
Synthesis and evaluation of novel marine bromopyrrole alkaloid-based hybrids as anticancer agents.EBI
Eur J Med Chem 63: 793-9 (2013)
Nmims University
Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2).EBI
Eur J Med Chem 63: 765-81 (2013)
Universit£
Aminopropylindenes derived from Grundmann's ketone as a novel chemotype of oxidosqualene cyclase inhibitors.EBI
Eur J Med Chem 63: 758-64 (2013)
Ludwig-Maximilians-Universit£T M£Nchen
Optimization of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of HIV capsid assembly inhibitors 1: addressing configurational instability through scaffold modification.EBI
Bioorg Med Chem Lett 23: 3396-400 (2013)
Boehringer Ingelheim (Canada)
Novel racemic tetrahydrocurcuminoid dihydropyrimidinone analogues as potent acetylcholinesterase inhibitors.EBI
Bioorg Med Chem Lett 23: 2880-2 (2013)
Ramkhamhaeng University
Discovery of novel orally bioavailable GPR40 agonists.EBI
Bioorg Med Chem Lett 23: 2920-4 (2013)
Shanghai Hengrui Pharmaceutical
Synthesis and biological evaluation of 2-(5-methyl-4-phenyl-2-oxopyrrolidin-1-yl)-acetamide stereoisomers as novel positive allosteric modulators of sigma-1 receptor.EBI
Bioorg Med Chem 21: 2764-71 (2013)
Institute Of Organic Synthesis
Structure-activity studies on the side chain of a simplified analog of aplysiatoxin (aplog-1) with anti-proliferative activity.EBI
Bioorg Med Chem 21: 2695-702 (2013)
Kyoto University
Design and synthesis of 2-N-substituted indazolone derivatives as non-carboxylic acid glycogen synthase activators.EBI
Bioorg Med Chem Lett 23: 2936-40 (2013)
Hoffmann-La Roche
Synthesis and antitumor activity of 1,3,4-oxadiazole possessing 1,4-benzodioxan moiety as a novel class of potent methionine aminopeptidase type II inhibitors.EBI
Bioorg Med Chem Lett 23: 2876-9 (2013)
Nanjing University
Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, part I: transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.EBI
Bioorg Med Chem Lett 23: 3438-42 (2013)
Pfizer
Design and synthesis of a tetrahydroisoquinoline-based hydroxamate derivative (ZYJ-34v), an oral active histone deacetylase inhibitor with potent antitumor activity.BDB
Chem Biol Drug Des 82: 125-30 (2013)
Shandong University
Synthesis, evaluation and molecular docking of prolyl-fluoropyrrolidine derivatives as dipeptidyl peptidase IV inhibitors.BDB
Chem Biol Drug Des 82: 156-66 (2013)
Delhi Institute Of Pharmaceutical Sciences And Research
In vitro evaluation of selected benzimidazole derivatives as an antioxidant and xanthine oxidase inhibitors.BDB
Chem Biol Drug Des 82: 290-5 (2013)
Konkuk University
Design, synthesis, and structure-activity relationship studies of novel 3-alkylindole derivatives as selective and highly potent myeloperoxidase inhibitors.EBI
J Med Chem 56: 3943-58 (2013)
Universit£
5-Oxo-ETE receptor antagonists.EBI
J Med Chem 56: 3725-32 (2013)
Florida Institute Of Technology
New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action.EBI
J Med Chem 56: 3330-8 (2013)
University Of Athens
Conformationally restricted homotryptamines. Part 6: indole-5-cycloalkyl methylamines as selective serotonin reuptake inhibitors.EBI
Bioorg Med Chem Lett 23: 2948-50 (2013)
Bristol-Myers Squibb Research And Development
Design, synthesis and evaluation of 2-phenylisothiazolidin-3-one-1,1-dioxides as a new class of human protein kinase CK2 inhibitors.BDB
J Enzyme Inhib Med Chem 29: 338-43 (2014)
Nas Of Ukraine
Triazole derivatives: a series of Darapladib analogues as orally active Lp-PLA2 inhibitors.EBI
Bioorg Med Chem Lett 23: 2897-901 (2013)
Chinese Academy Of Sciences
Synthesis, antidepressant evaluation and docking studies of long-chain alkylnitroquipazines as serotonin transporter inhibitors.BDB
Chem Biol Drug Des 81: 695-706 (2013)
University Of Troms£
Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.EBI
J Med Chem 56: 3609-19 (2013)
University Of Copenhagen
Screening and structural analysis of flavones inhibiting tankyrases.EBI
J Med Chem 56: 3507-17 (2013)
University Of Oulu
Structure-based identification of OATP1B1/3 inhibitors.EBI
Mol Pharmacol 83: 1257-67 (2013)
Ku Leuven
SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 3081-7 (2013)
Emd-Serono Research Institute
Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.EBI
Bioorg Med Chem Lett 23: 3075-80 (2013)
Elan Pharmaceuticals
A facile chemo-, regio- and stereoselective synthesis and cholinesterase inhibitory activity of spirooxindole-pyrrolizine-piperidine hybrids.EBI
Bioorg Med Chem Lett 23: 2979-83 (2013)
Universiti Sains Malaysia
Synthesis and biological evaluation of urea derivatives as highly potent and selective rho kinase inhibitors.EBI
J Med Chem 56: 3568-81 (2013)
The Scripps Research Institute
Design and synthesis of dual-action inhibitors targeting histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme A reductase for cancer treatment.EBI
J Med Chem 56: 3645-55 (2013)
National Taiwan University
Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.EBI
J Med Chem 56: 3666-79 (2013)
Sirtris A Gsk
Synthesis, structure-activity relationship analysis and kinetics study of reductive derivatives of flavonoids as Helicobacter pylori urease inhibitors.EBI
Eur J Med Chem 63: 685-95 (2013)
Jishou University
Direct targeting of▀-catenin: Inhibition of protein-protein interactions for the inactivation of Wnt signaling.EBI
Bioorg Med Chem 21: 4020-6 (2013)
Chemical Genomics Centre Of The Max Planck Society
Synthesis of new heterocyclic hybrids based on pyrazole and thiazolidinone scaffolds as potent inhibitors of tyrosinase.EBI
Bioorg Med Chem 21: 2772-7 (2013)
Bahirji Smarak Mahavidyalaya
Novel quinoline derivatives as inhibitors of bacterial DNA gyrase and topoisomerase IV.EBI
Bioorg Med Chem Lett 23: 2955-61 (2013)
Pfizer
Synthesis and structure-activity relationships of 2-amino-3-carboxy-4-phenylthiophenes as novel atypical protein kinase C inhibitors.EBI
Bioorg Med Chem Lett 23: 3034-8 (2013)
Penn State University College Of Medicine
Discovery and synthesis of novel 4-aminopyrrolopyrimidine Tie-2 kinase inhibitors for the treatment of solid tumors.EBI
Bioorg Med Chem Lett 23: 3059-63 (2013)
Pfizer
Targeting mutant KRAS for anticancer therapeutics: a review of novel small molecule modulators.EBI
J Med Chem 56: 5219-30 (2014)
The University Of Arizona
Determination of the ?-conotoxin Vc1.1 binding site on the ?9?10 nicotinic acetylcholine receptor.EBI
J Med Chem 56: 3557-67 (2013)
The University Of Queensland
4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors.EBI
J Med Chem 56: 3582-92 (2013)
Astellas Pharma
Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives ass1 receptor ligands for positron emission tomography imaging.EBI
J Med Chem 56: 3478-91 (2013)
Key Laboratory Of Radiopharmaceuticals Beijing Normal University
The C-terminus of Botulinum A Protease Has Profound and Unanticipated Kinetic Consequences Upon the Catalytic Cleft.EBI
ACS Med Chem Lett 4: 283-287 (2013)
The Scripps Research Institute
Identification of new peptide amides as selective cathepsin L inhibitors: the first step towards selective irreversible inhibitors?EBI
Bioorg Med Chem Lett 23: 2968-73 (2013)
National Institute Of Biology
Discovery of novel Jak2-Stat pathway inhibitors with extended residence time on target.EBI
Bioorg Med Chem Lett 23: 3105-10 (2013)
Astrazeneca
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.EBI
Bioorg Med Chem Lett 23: 3039-43 (2013)
The State University Of New Jersey
Novel VEGFR-2 kinase inhibitors identified by the back-to-front approach.EBI
Bioorg Med Chem Lett 23: 2962-7 (2013)
Mahidol University
The design and synthesis of a potent glucagon receptor antagonist with favorable physicochemical and pharmacokinetic properties as a candidate for the treatment of type 2 diabetes mellitus.EBI
Bioorg Med Chem Lett 23: 3051-8 (2013)
Pfizer
Arylsulfonamide pyrimidines as VLA-4 antagonists.EBI
Bioorg Med Chem Lett 23: 3070-4 (2013)
Elan Pharmaceuticals
Discovery of ML326: The first sub-micromolar, selective M5 PAM.EBI
Bioorg Med Chem Lett 23: 2996-3000 (2013)
Vanderbilt University Medical Center
Design, synthesis and evaluation of some new 4-aminopyridine derivatives in learning and memory.EBI
Bioorg Med Chem Lett 23: 2984-9 (2013)
Banaras Hindu University
Conformational restriction approach to BACE1 inhibitors II: SAR study of the isocytosine derivatives fixed with a cis-cyclopropane ring.EBI
Bioorg Med Chem Lett 23: 2912-5 (2013)
Shionogi
Neonicotinic analogues: selective antagonists fora4▀2 nicotinic acetylcholine receptors.EBI
Bioorg Med Chem 21: 2687-94 (2013)
University Of Chile
Synthesis and biological evaluation of a new series of hexahydro-2H-pyrano[3,2-c]quinolines as novel selectives1 receptor ligands.EBI
J Med Chem 56: 3656-65 (2013)
Esteve
A novel series of histamine H4 receptor antagonists based on the pyrido[3,2-d]pyrimidine scaffold: comparison of hERG binding and target residence time with PF-3893787.EBI
Bioorg Med Chem Lett 23: 2663-70 (2013)
Griffin Discoveries
Cytotoxic, antitopoisomerase II?, and anti-HIV-1 activities of triterpenoids isolated from leaves and twigs of Gardenia carinata.EBI
J Nat Prod 76: 530-7 (2013)
Mahidol University
Monocarbonyl curcumin analogues: heterocyclic pleiotropic kinase inhibitors that mediate anticancer properties.EBI
J Med Chem 56: 3456-66 (2013)
Emory University
Inhibition of isoleucyl-tRNA synthetase as a potential treatment for human African Trypanosomiasis.BDB
J Biol Chem 288: 14256-63 (2013)
University Of Washington
Neoclerodanes as atypical opioid receptor ligands.EBI
J Med Chem 56: 3435-43 (2013)
University Of Kansas
Cytotoxicity and modulation of cancer-related signaling by (Z)- and (E)-3,4,3',5'-tetramethoxystilbene isolated from Eugenia rigida.EBI
J Nat Prod 76: 679-84 (2013)
The University Of Mississippi
Development of an ALK2-Biased BMP Type I Receptor Kinase Inhibitor.BDB
ACS Chem Biol 8: 1291-302 (2013)
Massachusetts Institute Of Technology
Structural basis for inhibition of the fat mass and obesity associated protein (FTO).EBI
J Med Chem 56: 3680-8 (2013)
University Of Oxford
Potent proteasome inhibitors derived from the unnatural cis-cyclopropane isomer of Belactosin A: synthesis, biological activity, and mode of action.EBI
J Med Chem 56: 3689-700 (2013)
Hokkaido University
Oxadiazole-isopropylamides as potent and noncovalent proteasome inhibitors.EBI
J Med Chem 56: 3783-805 (2013)
Moffitt Cancer Center
3-Hydroxypyridin-2-thione as novel zinc binding group for selective histone deacetylase inhibition.EBI
J Med Chem 56: 3492-506 (2013)
Georgia Institute Of Technology
Biological active analogues of the opioid peptide biphalin: mixeda/ß(3)-peptides.EBI
J Med Chem 56: 3419-23 (2013)
Universit£
(3R,4S,5R,6R,7S)-3,4,5,7-Tetrahydroxyconidine, an azetidine analogue of 6,7-diepicastanospermine and a conformationally constrained d-deoxyaltronojirimycin, from l-arabinose.EBI
Bioorg Med Chem 21: 4813-9 (2013)
University Of Oxford
Virtual medicinal chemistry: in silico pre-docking functional group transformation for discovery of novel inhibitors of botulinum toxin serotype A light chain.EBI
Bioorg Med Chem Lett 23: 2505-11 (2013)
Panthera Biopharma
Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.EBI
Bioorg Med Chem Lett 23: 2585-9 (2013)
Boehringer Ingelheim (Canada)
Hepatitis C replication inhibitors that target the viral NS4B protein.EBI
J Med Chem 57: 2107-20 (2014)
Glaxosmithkline
Structure-activity relationship of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole analogues as 5-HT(6) receptor agonists.EBI
Eur J Med Chem 63: 578-88 (2013)
Neurosearch Sweden
Design, synthesis and evaluation of tacrine-flurbiprofen-nitrate trihybrids as novel anti-Alzheimer's disease agents.EBI
Bioorg Med Chem 21: 2462-70 (2013)
China Pharmaceutical University
Discovery of aryl-biphenyl-2-ylmethylpiperazines as novel scaffolds for 5-HT(7) ligands and role of the aromatic substituents in binding to the target receptor.EBI
Bioorg Med Chem 21: 2568-76 (2013)
Institute Of Science And Technology
Synthesis of (S)-FTY720 vinylphosphonate analogues and evaluation of their potential as sphingosine kinase 1 inhibitors and activators.EBI
Bioorg Med Chem 21: 2503-10 (2013)
The City University Of New York
Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 2522-6 (2013)
Hoffmann-La Roche
Identification and design of a novel series of MGAT2 inhibitors.EBI
Bioorg Med Chem Lett 23: 2721-6 (2013)
Astrazeneca
Inhibitors of the p53/hdm2 protein-protein interaction-path to the clinic.EBI
Bioorg Med Chem Lett 23: 2480-5 (2013)
Sanofi
C1 and N5 derivatives of cerpegin: synthesis of a new series based on structure-activity relationships to optimize their inhibitory effect on 20S proteasome.EBI
Bioorg Med Chem Lett 23: 2696-703 (2013)
Yerevan State University
Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema: part 2.EBI
Bioorg Med Chem 21: 2478-94 (2013)
Astellas Pharma
Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.EBI
J Med Chem 56: 3367-78 (2013)
University Paris 6
Novel pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs) with high potency against NNRTI-resistant HIV-1 strains.EBI
J Med Chem 56: 3593-608 (2013)
Peking University
Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selectivea4ß2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.EBI
J Med Chem 56: 3000-11 (2013)
Georgetown University Medical Center
Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome.EBI
Bioorg Med Chem Lett 23: 2793-800 (2013)
F. Hoffmann-La Roche
Design, synthesis and biological activity of multifunctional ?,?-unsaturated carbonyl scaffolds for Alzheimer's disease.EBI
Bioorg Med Chem Lett 23: 2614-8 (2013)
University Of Massachusetts Boston
Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase▀ isoform.EBI
Bioorg Med Chem Lett 23: 2606-13 (2013)
Genentech
Small-molecule inhibitors of cathepsin L incorporating functionalized ring-fused molecular frameworks.EBI
Bioorg Med Chem Lett 23: 2801-7 (2013)
Baylor University
Design, synthesis and biological activities of Nilotinib derivates as antitumor agents.EBI
Bioorg Med Chem 21: 2527-34 (2013)
Xi'An Jiaotong University
Novel pyrimidoazepine analogs as serotonin 5-HT(2A) and 5-HT(2C) receptor ligands for the treatment of obesity.EBI
Eur J Med Chem 63: 558-69 (2013)
Korea Institute Of Science And Technology
Spirocyclicß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloidß in a higher species.EBI
J Med Chem 56: 3379-403 (2013)
Array Biopharma
Investigation of the role of linker moieties in bifunctional tacrine hybrids.EBI
Bioorg Med Chem 21: 3614-23 (2013)
University Of Michigan
Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.EBI
Bioorg Med Chem Lett 23: 2590-4 (2013)
Merck Research Laboratories
Discovery, synthesis, selectivity modulation and DMPK characterization of 5-azaspiro[2.4]heptanes as potent orexin receptor antagonists.EBI
Bioorg Med Chem Lett 23: 2653-8 (2013)
Rottapharm Madaus
Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 2.EBI
Bioorg Med Chem Lett 23: 2659-62 (2013)
Kitasato University
Novel and highly potent histamine H3 receptor ligands. Part 3: an alcohol function to improve the pharmacokinetic profile.EBI
Bioorg Med Chem Lett 23: 2548-54 (2013)
Bioprojet-Biotech
Antileishmanial activity evaluation of bis-lawsone analogs and DNA topoisomerase-I inhibition studies.BDB
J Enzyme Inhib Med Chem 29: 185-9 (2014)
Karunya University
De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.BDB
ACS Chem Biol 8: 1044-52 (2013)
University Of Dundee
Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors.EBI
J Med Chem 56: 3191-206 (2013)
Universit£
Synthesis and biological evaluation of oleanolic acid derivatives as PTP1B inhibitors.EBI
Eur J Med Chem 63: 511-22 (2013)
North-West University
Fragment-based drug discovery of 2-thiazolidinones as inhibitors of the histone reader BRD4 bromodomain.EBI
J Med Chem 56: 3833-51 (2013)
Chinese Academy Of Sciences
Identification of selective inhibitors for human neuraminidase isoenzymes using C4,C7-modified 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (DANA) analogues.EBI
J Med Chem 56: 2948-58 (2013)
University Of Alberta
Design and synthesis of 2-substituted benzoxazoles as novel PTP1B inhibitors.EBI
Bioorg Med Chem Lett 23: 2579-84 (2013)
Aurigene Discovery Technologies
Discovery of a synthetic Aminopeptidase N inhibitor LB-4b as a potential anticancer agent.EBI
Bioorg Med Chem Lett 23: 2512-7 (2013)
Shandong University
Molecular design, synthesis and biological evaluation of cyclic imides bearing benzenesulfonamide fragment as potential COX-2 inhibitors. Part 2.EBI
Bioorg Med Chem Lett 23: 2601-5 (2013)
King Saud University
A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice.EBI
Bioorg Med Chem Lett 23: 2595-7 (2013)
Janssen Research And Development
Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties.EBI
Bioorg Med Chem Lett 23: 2560-5 (2013)
Daiichi Sankyo
SAR based design of nicotinamides as a novel class of androgen receptor antagonists for prostate cancer.EBI
J Med Chem 56: 3414-8 (2013)
Chonnam National University
Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen.EBI
J Med Chem 56: 3296-309 (2013)
Peking University
Exploring the effect of EBI
Medchemcomm 4: 564-568 (2013)
University Of Arkansas For Medical Sciences
Multivalent Interactions: Synthesis and Evaluation of Melanotropin Multimers - Tools for Melanoma Targeting.EBI
ACS Med Chem Lett 4: 98-102 (2013)
Universit£
Synthesis and biological evaluation of novel pyrrolidine-2,5-dione derivatives as potential antidepressant agents. Part 1.EBI
Eur J Med Chem 63: 484-500 (2013)
Medical University Of Warsaw
Design and synthesis of novel chromenone derivatives as interleukin-5 inhibitors.EBI
Bioorg Med Chem 21: 2543-50 (2013)
Chungnam National University
Discovery of subtype selective muscarinic receptor antagonists as alternatives to atropine using in silico pharmacophore modeling and virtual screening methods.EBI
Bioorg Med Chem 21: 2651-62 (2013)
Walter Reed Army Institute Of Research
In silico identification of poly(ADP-ribose)polymerase-1 inhibitors and their chemosensitizing effects against cisplatin-resistant human gastric cancer cells.EBI
Bioorg Med Chem Lett 23: 2642-6 (2013)
Sungkyunkwan [Corrected] University
Design and synthesis of highly selective, orally active Polo-like kinase-2 (Plk-2) inhibitors.EBI
Bioorg Med Chem Lett 23: 2743-9 (2013)
Elan Pharmaceuticals
Substituted thieno[2,3-d]pyrimidines as adenosine A2A receptor antagonists.EBI
Bioorg Med Chem Lett 23: 2688-91 (2013)
Janssen Research & Development
Aminophenoxazinones as inhibitors of indoleamine 2,3-dioxygenase (IDO). Synthesis of exfoliazone and chandrananimycin A.EBI
J Med Chem 56: 3310-7 (2013)
University Of Nottingham
Potent fibrinolysis inhibitor discovered by shape and electrostatic complementarity to the drug tranexamic acid.EBI
J Med Chem 56: 3273-80 (2013)
Astrazeneca
Synthesis and structure-activity relationships of 5,6,7-substituted pyrazolopyrimidines: discovery of a novel TSPO PET ligand for cancer imaging.EBI
J Med Chem 56: 3429-33 (2013)
Vanderbilt University Institute Of Imaging Science (Vuiis)
Discovery and optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as novel selective and orally bioavailable discoidin domain receptor 1 (DDR1) inhibitors.EBI
J Med Chem 56: 3281-95 (2013)
Chinese Academy Of Sciences
Synthesis and biological activities of a new class of heat shock protein 90 inhibitors, designed by energy-based pharmacophore virtual screening.EBI
J Med Chem 56: 3424-8 (2013)
Universit£
Improving the affinity of SL0101 for RSK using structure-based design.EBI
ACS Med Chem Lett 4: 175-179 (2012)
Vanderbilt University
Design and synthesis of 1-aryl-5-anilinoindazoles as c-Jun N-terminal kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 2683-7 (2013)
The Scripps Research Institute
A comprehensive review on synthesis and designing aspects of coumarin derivatives as monoamine oxidase inhibitors for depression and Alzheimer's disease.EBI
Bioorg Med Chem 21: 2434-50 (2013)
R.C. Patel Institute Of Pharmaceutical Education And Research
Novel dual cyclooxygenase and lipoxygenase inhibitors targeting hyaluronan-CD44v6 pathway and inducing cytotoxicity in colon cancer cells.EBI
Bioorg Med Chem 21: 2551-9 (2013)
Medical University Of South Carolina
Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated substituents directed toward the S2 pocket.EBI
J Med Chem 57: 1790-801 (2014)
Uppsala University
Orally active opioid compounds from a non-poppy source.EBI
J Med Chem 56: 4840-8 (2013)
Temple University School Of Pharmacy
Anti-inflammatory lanostanoids and lactone derivatives from Antrodia camphorata.EBI
J Nat Prod 76: 489-94 (2013)
National Sun Yat-Sen University
Therapeutic agents triggering nonapoptotic cancer cell death.EBI
J Med Chem 56: 4823-39 (2013)
Texas State University-San Marcos
Biophysical fragment screening of theß1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design.EBI
J Med Chem 56: 3446-55 (2013)
Heptares Therapeutics
Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.EBI
J Med Chem 56: 3217-27 (2013)
University Of Oxford
Substituted 7-amino-5-thio-thiazolo[4,5-d]pyrimidines as potent and selective antagonists of the fractalkine receptor (CX3CR1).EBI
J Med Chem 56: 3177-90 (2013)
Astrazeneca
Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt).EBI
Eur J Med Chem 63: 378-86 (2013)
National University Of Singapore
Carbonic anhydrase inhibitors: inhibition of the▀-class enzyme from the pathogenic yeast Candida glabrata with sulfonamides, sulfamates and sulfamides.EBI
Bioorg Med Chem Lett 23: 2647-52 (2013)
Universit£
Design, synthesis and evaluation of flavonoid derivatives as potential multifunctional acetylcholinesterase inhibitors against Alzheimer's disease.EBI
Bioorg Med Chem Lett 23: 2636-41 (2013)
China Pharmaceutical University
Synthesis and structure-activity relationships of carboxylic acid derivatives of pyridoxal as P2X receptor antagonists.EBI
Bioorg Med Chem 21: 2643-50 (2013)
Gwangju Institute Of Science And Technology
Novel indoline-2,3-dione derivatives as inhibitors of aminopeptidase N (APN).EBI
Bioorg Med Chem 21: 2663-70 (2013)
Shandong University
Development of a plate-based optical biosensor fragment screening methodology to identify phosphodiesterase 10A inhibitors.EBI
J Med Chem 56: 3228-34 (2013)
Astrazeneca
Structure-based design of ?-site APP cleaving enzyme 1 (BACE1) inhibitors for the treatment of Alzheimer's disease.EBI
J Med Chem 56: 4156-80 (2013)
Vitae Pharmaceuticals
Synthesis and evaluation of stable substrate analogs as potential modulators of cyclodiphosphate synthase IspF.EBI
Medchemcomm 4: 130-134 (2013)
The Johns Hopkins University School Of Medicine
Radiosynthesis and first evaluation in mice of [(18)F]NS14490 for molecular imaging ofa7 nicotinic acetylcholine receptors.EBI
Bioorg Med Chem 21: 2635-42 (2013)
Helmholtz-Zentrum Dresden-Rossendorf
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.EBI
Bioorg Med Chem 21: 2600-17 (2013)
Chinese Academy Of Sciences
Structure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series.EBI
Bioorg Med Chem Lett 23: 2787-92 (2013)
Pfizer
Molecular determinants for nuclear receptors selectivity: chemometric analysis, dockings and site-directed mutagenesis of dual peroxisome proliferator-activated receptors ?/? agonists.EBI
Eur J Med Chem 63: 321-32 (2013)
Universit£
Natural sesquiterpene lactones as inhibitors of Myb-dependent gene expression: structure-activity relationships.EBI
Eur J Med Chem 63: 313-20 (2013)
University Of M£Nster
Synthesis and evaluation of 7,8-dehydrorutaecarpine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 63: 299-312 (2013)
Sun Yat-Sen University
Novel IKK▀ inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method.EBI
Eur J Med Chem 63: 269-78 (2013)
China Pharmaceutical University
New potent calcimimetics: II. Discovery of benzothiazole trisubstituted ureas.EBI
Bioorg Med Chem Lett 23: 2455-9 (2013)
Galapagos
Identification of pyrrolo[2,3-g]indazoles as new Pim kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 2298-301 (2013)
Clermont Universit£
Design, synthesis and insulin-sensitising effects of novel PTP1B inhibitors.EBI
Bioorg Med Chem Lett 23: 2313-8 (2013)
Chinese Academy Of Medical Sciences And Peking Union Medical College
Exploring the UDP pocket of LpxC through amino acid analogs.EBI
Bioorg Med Chem Lett 23: 2362-7 (2013)
Astrazeneca
Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1.EBI
Bioorg Med Chem 21: 2623-34 (2013)
Korea Basic Science Institute
Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor.EBI
Bioorg Med Chem 21: 2333-45 (2013)
Takeda Pharmaceutical
VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid.EBI
Bioorg Med Chem 21: 2241-9 (2013)
Reveragen Biopharma
Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties.EBI
Bioorg Med Chem 21: 2587-99 (2013)
St. Jude Children'S Research Hospital
Syntheses and biological evaluation of 1-heteroaryl-2-aryl-1H-benzimidazole derivatives as c-Jun N-terminal kinase inhibitors with neuroprotective effects.EBI
Bioorg Med Chem 21: 2271-85 (2013)
Hanyang University
Novel Inhibitor Binding Site Discovery on HIV-1 Capsid N-Terminal Domain by NMR and X-ray Crystallography.BDB
ACS Chem Biol 8: 1074-82 (2013)
Boehringer Ingelheim (Canada)
Development ofEBI
ACS Med Chem Lett 4: 235-238 (2013)
Shandong University
Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents.EBI
Bioorg Med Chem 21: 2286-97 (2013)
Nanjing University
Design and synthesis of a series of ?-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility.EBI
Bioorg Med Chem 21: 2319-2332 (2013)
Okayama University
Synthesis of novel cognition enhancers with pyrazolo[5,1-c][1,2,4]benzotriazine core acting at¿-aminobutyric acid type A (GABA(A)) receptor.EBI
Bioorg Med Chem 21: 2186-98 (2013)
Sintesi E Studio Di Eterocicli Biologicamente Attivi (Heterobiolab) Universit£
Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.EBI
Bioorg Med Chem 21: 2314-8 (2013)
University Of Florida
Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors.EBI
Bioorg Med Chem 21: 2250-61 (2013)
Takeda Pharmaceutical
Exploration of the structure-activity relationship of a novel tetracyclic class of TSPO ligands-potential novel positron emitting tomography imaging agents.EBI
Bioorg Med Chem Lett 23: 2368-72 (2013)
Ge Healthcare
Synthesis and biological activity of 4-substituted benzoxazolone derivatives as a new class of sEH inhibitors with high anti-inflammatory activity in vivo.EBI
Bioorg Med Chem Lett 23: 2380-3 (2013)
Shanxi Medical University
N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11▀-hydroxysteroid dehydrogenase type 1: strategies to eliminate reactive metabolites.EBI
Bioorg Med Chem Lett 23: 2344-8 (2013)
Pfizer
Identification and synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAF(V600E) inhibitors.EBI
Bioorg Med Chem Lett 23: 2306-12 (2013)
Central South University
Synthesis and evaluation of cholecystokinin trimers: a multivalent approach to pancreatic cancer detection and treatment.EBI
Bioorg Med Chem Lett 23: 2422-5 (2013)
Universit£
Disulfide linked pyrazole derivatives inhibit phagocytosis of opsonized blood cells.EBI
Bioorg Med Chem Lett 23: 2324-7 (2013)
Toronto General Research Institute
Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor.EBI
J Med Chem 56: 2936-47 (2013)
Universit£
Synthesis and dual D2 and 5-HT1A receptor binding affinities of 5-piperidinyl and 5-piperazinyl-1H-benzo[d]imidazol-2(3H)-ones.BDB
J Enzyme Inhib Med Chem 29: 281-91 (2014)
King Fahd University Of Petroleum & Minerals
Novel coumarins and benzocoumarins acting as isoform-selective inhibitors against the tumor-associated carbonic anhydrase IX.BDB
J Enzyme Inhib Med Chem 29: 292-6 (2014)
S.G.S.I.T.S.
Novel inhibitor of bacterial sphingomyelinase, SMY-540, developed based on three-dimensional structure analysis.BDB
J Enzyme Inhib Med Chem 29: 303-10 (2014)
Tokushima Bunri University
Paclitaxel is an inhibitor and its boron dipyrromethene derivative is a fluorescent recognition agent for botulinum neurotoxin subtype A.EBI
J Med Chem 56: 2791-803 (2013)
Lakehead University And Thunder Bay Regional Research Institute
Progress and developments in tau aggregation inhibitors for Alzheimer disease.EBI
J Med Chem 56: 4135-55 (2013)
Humboldt Universit£T Zu Berlin
N-substituted azaindoles as potent inhibitors of Cdc7 kinase.EBI
Bioorg Med Chem Lett 23: 2056-60 (2013)
Amgen
Design, synthesis and biological evaluation of novel imidazo[4,5-c]pyridinecarboxamide derivatives as PARP-1 inhibitors.EBI
Bioorg Med Chem Lett 23: 1993-6 (2013)
China Pharmaceutical University
Novel tacrine-related drugs as potential candidates for the treatment of Alzheimer's disease.EBI
Bioorg Med Chem Lett 23: 1916-22 (2013)
Complutense University Of Madrid
Phenylimino-2H-chromen-3-carboxamide derivatives as novel small molecule inhibitors ofß-secretase (BACE1).EBI
Bioorg Med Chem 21: 2396-412 (2013)
Tehran University Of Medical Sciences
N-[9-(ortho-fluorobenzyl)-2-phenyl-8-azapurin-6-yl]-amides as potent and selective ligands for A1 adenosine receptors.BDB
Chem Biol Drug Des 82: 22-38 (2013)
Universit£
Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor.EBI
Bioorg Med Chem Lett 23: 2432-5 (2013)
Bristol-Myers Squibb Pharmaceutical Research Institute
Discovery of SAR184841, a potent and long-lasting inhibitor of 11▀-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D.EBI
Bioorg Med Chem Lett 23: 2414-21 (2013)
Sanofi R & D
Discovery of thienopyrimidine-based inhibitors of the human farnesyl pyrophosphate synthase--parallel synthesis of analogs via a trimethylsilyl ylidene intermediate.EBI
Bioorg Med Chem 21: 2229-40 (2013)
Mcgill University
Discovery of disubstituted piperidines and homopiperidines as potent dual NK1 receptor antagonists-serotonin reuptake transporter inhibitors for the treatment of depression.EBI
Bioorg Med Chem 21: 2217-28 (2013)
Bristol-Myers Squibb
Synthesis and evaluation of an imidazole derivative-fluorescein conjugate.EBI
Bioorg Med Chem 21: 2418-25 (2013)
University Of Texas At Houston
Design, synthesis, and pharmacological characterization of novel endomorphin-1 analogues as extremely potentµ-opioid agonists.EBI
J Med Chem 56: 3102-14 (2013)
Lanzhou University
The development of highly potent inhibitors for porcupine.EBI
J Med Chem 56: 2700-4 (2013)
The University Of Texas Southwestern Medical Center
Novel (coumarin-3-yl)carbamates as selective MAO-B inhibitors: synthesis, in vitro and in vivo assays, theoretical evaluation of ADME properties and docking study.EBI
Eur J Med Chem 63: 151-61 (2013)
University Of Santiago De Compostela
Biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism: modulation at the N-portion and distal phenyl ring.EBI
Eur J Med Chem 63: 118-32 (2013)
Sapienza University Of Rome
Synthesis and evaluation of 3-(benzylthio)-5-(1H-indol-3-yl)-1,2,4-triazol-4-amines as Bcl-2 inhibitory anticancer agents.EBI
Bioorg Med Chem Lett 23: 2391-4 (2013)
Cardiff University
Optimization of allosteric MEK inhibitors. Part 1: Venturing into underexplored SAR territories.EBI
Bioorg Med Chem Lett 23: 2384-90 (2013)
Bayer Healthcare
Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors.EBI
Bioorg Med Chem Lett 23: 2408-13 (2013)
Chinese Academy Of Sciences
26- and 27-Methyl groups of 2-substituted, 19-nor-1a,25-dihydroxylated vitamin D compounds are essential for calcium mobilization in vivo.BDB
Bioorg Chem 47: 9-16 (2013)
University Of Wisconsin-Madison
Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives.EBI
Bioorg Med Chem 21: 2355-62 (2013)
Tehran University Of Medical Sciences
Structure-activity relationship study of tachykinin peptides for the development of novel neurokinin-3 receptor selective agonists.EBI
Bioorg Med Chem 21: 2413-7 (2013)
Kyoto University
BCR-ABL tyrosine kinase inhibitor pharmacophore model derived from a series of phenylaminopyrimidine-based (PAP) derivatives.EBI
Bioorg Med Chem Lett 23: 2442-50 (2013)
The First People'S Hospital Of Hangzhou
Structural basis and SAR for G007-LK, a lead stage 1,2,4-triazole based specific tankyrase 1/2 inhibitor.EBI
J Med Chem 56: 3012-23 (2013)
Oslo University Hospital
Strategies to reduce HERG K+ channel blockade. Exploring heteroaromaticity and rigidity in novel pyridine analogues of dofetilide.EBI
J Med Chem 56: 2828-40 (2013)
Leiden University
Pyrimidoaminotropanes as potent, selective, and efficacious small molecule kinase inhibitors of the mammalian target of rapamycin (mTOR).EBI
J Med Chem 56: 3090-101 (2013)
Genentech
The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.EBI
J Med Chem 56: 2874-84 (2013)
University Of California San Francisco
Design, synthesis, and biological evaluation of a series of benzo[de][1,7]naphthyridin-7(8H)-ones bearing a functionalized longer chain appendage as novel PARP1 inhibitors.EBI
J Med Chem 56: 2885-903 (2013)
Chinese Academy Of Sciences
Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury.EBI
J Med Chem 56: 2568-80 (2013)
Institutes For Pharmaceutical Discovery
Design, synthesis, and biological evaluation of indenoisoquinoline rexinoids with chemopreventive potential.EBI
J Med Chem 56: 2581-605 (2013)
Purdue University
In search of new herbicidal inhibitors of the non-mevalonate pathway.EBI
Pest Manag Sci 69: 559-63 (2013)
Basf-Se
Design and synthesis of new bifunctional sigma-1 selective ligands with antioxidant activity.EBI
J Med Chem 56: 2447-55 (2013)
University Of Catania
Optimizing small molecule inhibitors of calcium-dependent protein kinase 1 to prevent infection by Toxoplasma gondii.EBI
J Med Chem 56: 3068-77 (2013)
Washington University
Development and evaluation of novel phosphotyrosine mimetic inhibitors targeting the Src homology 2 domain of signaling lymphocytic activation molecule (SLAM) associated protein.EBI
J Med Chem 56: 2841-9 (2013)
National Taiwan University
Discovery of novel 2,6-disubstituted pyridazinone derivatives as acetylcholinesterase inhibitors.EBI
Eur J Med Chem 63: 95-103 (2013)
Chinese Academy Of Sciences
Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds.EBI
Eur J Med Chem 63: 85-94 (2013)
Universit£
Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening.EBI
Bioorg Med Chem Lett 23: 2078-82 (2013)
East China University Of Science And Technology
Synthesis and evaluation of non-dimeric HCV NS5A inhibitors.EBI
Bioorg Med Chem Lett 23: 2031-4 (2013)
Veterans Affairs Medical Center
A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues asa-glucosidase inhibitors.EBI
Bioorg Med Chem Lett 23: 2022-6 (2013)
Xi'An Jiaotong University
Design, synthesis and antithrombotic evaluation of novel dabigatran prodrugs containing methyl ferulate.EBI
Bioorg Med Chem Lett 23: 2089-92 (2013)
China Pharmaceutical University
PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.EBI
Bioorg Med Chem Lett 23: 1961-6 (2013)
Pfizer
[11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand.EBI
Bioorg Med Chem Lett 23: 1953-6 (2013)
Indiana University School Of Medicine
Evaluation of (Z)-2-((1-benzyl-1H-indol-3-yl)methylene)-quinuclidin-3-one analogues as novel, high affinity ligands for CB1 and CB2 cannabinoid receptors.EBI
Bioorg Med Chem Lett 23: 2019-21 (2013)
University Of Arkansas For Medical Sciences
Discovery of AZD3514, a small-molecule androgen receptor downregulator for treatment of advanced prostate cancer.EBI
Bioorg Med Chem Lett 23: 1945-8 (2013)
Astrazeneca
Improving the inhibitory activity of arylidenaminoguanidine compounds at the N-methyl-D-aspartate receptor complex from a recursive computational-experimental structure-activity relationship study.EBI
Bioorg Med Chem 21: 1764-74 (2013)
University Of Kentucky
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.EBI
Bioorg Med Chem Lett 23: 2181-6 (2013)
Elan Pharmaceuticals
New potent calcimimetics: I. Discovery of a series of novel trisubstituted ureas.EBI
Bioorg Med Chem Lett 23: 2451-4 (2013)
Galapagos
Potential CRF1R PET imaging agents: 1-fluoroalkylsubstituted 5-halo-3-(arylamino)pyrazin-2(1H)-ones.EBI
Bioorg Med Chem Lett 23: 2052-5 (2013)
Bristol-Myers Squibb Research And Development
Synthesis and evaluation of 18F-labeled carbonic anhydrase IX inhibitors for imaging with positron emission tomography.BDB
J Enzyme Inhib Med Chem 29: 249-55 (2014)
Bc Cancer Agency
Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors.EBI
Bioorg Med Chem 21: 1735-48 (2013)
University Of Pardubice
Development of silicon-containing bis-phenol derivatives as androgen receptor antagonists: selectivity switching by C/Si exchange.EBI
Bioorg Med Chem 21: 1643-51 (2013)
The University Of Tokyo
Improvement ofs1 receptor affinity by late-stage C-H-bond arylation of spirocyclic lactones.EBI
Bioorg Med Chem 21: 1844-56 (2013)
Wilhelms-Universit£T M£Nster
Design, structure-activity relationship and in vivo efficacy of piperazine analogues of fenarimol as inhibitors of Trypanosoma cruzi.EBI
Bioorg Med Chem 21: 1756-63 (2013)
Epichem
Microwave-assisted synthesis and tyrosinase inhibitory activity of chalcone derivatives.BDB
Chem Biol Drug Des 82: 39-47 (2013)
Shaoyang University
(+)-Laburnamine, a natural selective ligand and partial agonist for the?4?2 nicotinic receptor subtype.EBI
J Nat Prod 76: 727-31 (2013)
Universit£
Target- and mechanism-based therapeutics for neurodegenerative diseases: strength in numbers.EBI
J Med Chem 56: 3121-47 (2013)
Northwestern University
Synthesis and preliminary evaluation in tumor bearing mice of new (18)F-labeled arylsulfone matrix metalloproteinase inhibitors as tracers for positron emission tomography.EBI
J Med Chem 56: 2676-89 (2013)
Universit£
(4-Phenoxyphenyl)tetrazolecarboxamides and related compounds as dual inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL).EBI
Eur J Med Chem 63: 64-75 (2013)
University Of M£Nster
Fungal transformation of cedryl acetate anda-glucosidase inhibition assay, quantum mechanical calculations and molecular docking studies of its metabolites.EBI
Eur J Med Chem 62: 764-70 (2013)
University Of Karachi
Structure-based drug design using GPCR homology modeling: toward the discovery of novel selective CysLT2 antagonists.EBI
Eur J Med Chem 62: 754-63 (2013)
Zhejiang University
Nonclassical antifolates, part 3: synthesis, biological evaluation and molecular modeling study of some new 2-heteroarylthio-quinazolin-4-ones.EBI
Eur J Med Chem 63: 33-45 (2013)
King Saud University
New quinazoline derivatives for telomeric G-quadruplex DNA: effects of an added phenyl group on quadruplex binding ability.EBI
Eur J Med Chem 63: 1-13 (2013)
Sun Yat-Sen University
A novel series of tacrine-selegiline hybrids with cholinesterase and monoamine oxidase inhibition activities for the treatment of Alzheimer's disease.EBI
Eur J Med Chem 62: 745-53 (2013)
Sun Yat-Sen University
Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.EBI
Eur J Med Chem 62: 738-44 (2013)
University Of Auckland
Chemical synthesis and biological validation of immobilized protein kinase inhibitory Leucettines.EBI
Eur J Med Chem 62: 728-37 (2013)
Universit£
Synthesis, evaluation and absolute configuration assignment of novel dihydropyrimidin-2-ones as picomolar sodium iodide symporter inhibitors.EBI
Eur J Med Chem 62: 722-7 (2013)
Institut De Biologie Et De Technologies De Saclay (Ibitecs)
Synthesis and discovery of novel piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent cholinesterase inhibitors.EBI
Bioorg Med Chem 21: 1696-707 (2013)
Universiti Sains Malaysia
Synthesis and evaluation of quinazoline derivatives as phosphodiesterase 7 inhibitors.EBI
Bioorg Med Chem 21: 2370-2378 (2013)
Universidad De Alcala
Triazolopyridazine LRRK2 kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 1967-73 (2013)
Elan Pharmaceuticals
Design, synthesis, and molecular modelling of pyridazinone and phthalazinone derivatives as protein kinases inhibitors.EBI
Bioorg Med Chem Lett 23: 2007-13 (2013)
University Of Strasburg
Deconstruction of sulfonamide inhibitors of the urotensin receptor (UT) and design and synthesis of benzylamine and benzylsulfone antagonists.EBI
Bioorg Med Chem Lett 23: 2177-80 (2013)
Boehringer Ingelheim Pharmaceuticals
2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.EBI
Bioorg Med Chem Lett 23: 2027-30 (2013)
Institutes For Pharmaceutical Discovery
Synthesis and anti-acetylcholinesterase properties of novel ?- and ?-substituted alkoxy organophosphonates.EBI
Bioorg Med Chem Lett 23: 2048-51 (2013)
The University Of Montana
Novel leucine ureido derivatives as inhibitors of aminopeptidase N (APN).EBI
Bioorg Med Chem 21: 1621-7 (2013)
Shandong University
A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors.EBI
Bioorg Med Chem Lett 23: 2106-10 (2013)
Asahi Kasei Pharma
Design, synthesis, and biological activity of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase.EBI
Bioorg Med Chem Lett 23: 2035-43 (2013)
University Of Illinois At Chicago
Discovery of 4-alkylamino-7-aryl-3-cyanoquinoline LRRK2 kinase inhibitors.EBI
Bioorg Med Chem Lett 23: 1974-7 (2013)
Elan Pharmaceuticals
On dihydroorotate dehydrogenases and their inhibitors and uses.EBI
J Med Chem 56: 3148-67 (2013)
Institut Pasteur
Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.EBI
J Med Chem 56: 3024-32 (2013)
Northwestern University
Discovery of allosteric modulators of factor XIa by targeting hydrophobic domains adjacent to its heparin-binding site.EBI
J Med Chem 56: 2415-28 (2013)
Virginia Commonwealth University
Synthesis of novel estrogen receptor antagonists using metal-catalyzed coupling reactions and characterization of their biological activity.EBI
J Med Chem 56: 2779-90 (2013)
University Of Kansas Medical Center
A potent and highly efficacious Bcl-2/Bcl-xL inhibitor.EBI
J Med Chem 56: 3048-67 (2013)
University Of Michigan
Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity.EBI
J Med Chem 56: 2513-26 (2013)
The University Of Queensland
Selective 3-phosphoinositide-dependent kinase 1 (PDK1) inhibitors: dissecting the function and pharmacology of PDK1.EBI
J Med Chem 56: 2726-37 (2013)
Glaxosmithkline
Fragment-based discovery of 8-hydroxyquinoline inhibitors of the HIV-1 integrase-lens epithelium-derived growth factor/p75 (IN-LEDGF/p75) interaction.EBI
J Med Chem 56: 2311-22 (2013)
University Of Southern California
Development of dual PLD1/2 and PLD2 selective inhibitors from a common 1,3,8-Triazaspiro[4.5]decane Core: discovery of Ml298 and Ml299 that decrease invasive migration in U87-MG glioblastoma cells.EBI
J Med Chem 56: 2695-9 (2013)
Vanderbilt University Medical Center
Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.EBI
J Med Chem 56: 2110-24 (2013)
University Of North Carolina At Chapel Hill
A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.EBI
J Med Chem 56: 2619-29 (2013)
Graduate School Of Peking Union Medical College And Chinese Academy Of Medical Sciences
Rapid discovery of a novel series of Abl kinase inhibitors by application of an integrated microfluidic synthesis and screening platform.EBI
J Med Chem 56: 3033-47 (2013)
Cyclofluidic
Orvinols with mixed kappa/mu opioid receptor agonist activity.EBI
J Med Chem 56: 3207-16 (2013)
University Of Bath
Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors.EBI
J Med Chem 56: 2651-64 (2013)
Universit£
Optimization of peptide hydroxamate inhibitors of insulin-degrading enzyme reveals marked substrate-selectivity.EBI
J Med Chem 56: 2246-55 (2013)
Mayo Clinic
Colloidal aggregation causes inhibition of G protein-coupled receptors.EBI
J Med Chem 56: 2406-14 (2013)
University Of North Carolina At Chapel Hill
Rational design and synthesis of 4-substituted 2-pyridin-2-ylamides with inhibitory effects on SH2 domain-containing inositol 5'-phosphatase 2 (SHIP2).EBI
Eur J Med Chem 62: 649-60 (2013)
University Of Toyama
Synthesis and SAR study of modulators inhibiting tRXRa-dependent AKT activation.EBI
Eur J Med Chem 62: 632-48 (2013)
Xiamen University
Advances in the discovery of kinesin spindle protein (Eg5) inhibitors as antitumor agents.EBI
Eur J Med Chem 62: 614-31 (2013)
Cairo University
Euryspongins A-C, three new unique sesquiterpenes from a marine sponge Euryspongia sp.EBI
Bioorg Med Chem Lett 23: 2151-4 (2013)
Tohoku Pharmaceutical University
Improved guanide compounds which bind the CXCR4 co-receptor and inhibit HIV-1 infection.EBI
Bioorg Med Chem Lett 23: 2197-201 (2013)
Montana State University
Synthesis, structure-activity relationship studies, and identification of novel 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 1.EBI
Bioorg Med Chem Lett 23: 2212-6 (2013)
Actelion Pharmaceuticals
Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.EBI
Bioorg Med Chem Lett 23: 2225-9 (2013)
Fudan University
Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 9: Synthesis, characterization and molecular modeling of pyridinyl isosteres of N-BPE-8-CAC (1), a high affinity ligand for opioid receptors.EBI
Bioorg Med Chem Lett 23: 2128-33 (2013)
Rensselaer Polytechnic Institute
A one-pot domino synthesis and discovery of highly functionalized dihydrobenzo[b]thiophenes as AChE inhibitors.EBI
Bioorg Med Chem Lett 23: 2101-5 (2013)
Madurai Kamaraj University
Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis.EBI
Bioorg Med Chem 21: 1724-34 (2013)
East China University Of Science And Technology
Synthesis and biological activity of 5-chloro-N4-substituted phenyl-9H-pyrimido[4,5-b]indole-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic agents.EBI
Bioorg Med Chem 21: 1857-64 (2013)
Duquesne University
Novel antiobesity agents: synthesis and pharmacological evaluation of analogues of Rimonabant and of LH21.EBI
Bioorg Med Chem 21: 1708-16 (2013)
Instituto De Qu£Mica M£Dica
Discovery of potent dipeptidyl peptidase IV inhibitors through pharmacophore hybridization and hit-to-lead optimization.EBI
Bioorg Med Chem 21: 1749-55 (2013)
Chinese Academy Of Science
Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.EBI
Bioorg Med Chem 21: 1795-803 (2013)
University Of Mississippi
Design, synthesis and SAR of novel glucokinase activators.EBI
Bioorg Med Chem Lett 23: 2166-71 (2013)
Takeda California
Discovery of biological evaluation of pyrazole/imidazole amides as mGlu5 receptor negative allosteric modulators.EBI
Bioorg Med Chem Lett 23: 2134-9 (2013)
Sk Biopharmaceuticals
Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.EBI
Bioorg Med Chem 21: 1787-94 (2013)
Entremed
Novel inhibitors of bacterial virulence: development of 5,6-dihydrobenzo[h]quinazolin-4(3H)-ones for the inhibition of group A streptococcal streptokinase expression.EBI
Bioorg Med Chem 21: 1880-97 (2013)
University Of Michigan
Stereoselective synthesis of a new class of potent and selective inhibitors of human¿8,7-sterol isomerase.EBI
Bioorg Med Chem 21: 1925-43 (2013)
Ludwig-Maximilians University
Cytotoxicity and topoisomerase I/II inhibition activity of novel 4-aryl/alkyl-1-(piperidin-4-yl)-carbonylthiosemicarbazides and 4-benzoylthiosemicarbazides.BDB
J Enzyme Inhib Med Chem 29: 243-8 (2014)
Medical University
Structure-activity relationships of peptides incorporating a bioactive reverse-turn heterocycle at the melanocortin receptors: identification of a 5800-fold mouse melanocortin-3 receptor (mMC3R) selective antagonist/partial agonist versus the mouse melanocortin-4 receptor (mMC4R).EBI
J Med Chem 56: 2747-63 (2013)
University Of Florida
Studies on an (S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) receptor antagonist IKM-159: asymmetric synthesis, neuroactivity, and structural characterization.EBI
J Med Chem 56: 2283-93 (2013)
Yokohama City University
Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17ß-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.EBI
J Med Chem 56: 2429-46 (2013)
Vanderbilt University School Of Medicine
Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship.EBI
Eur J Med Chem 62: 597-604 (2013)
East China University Of Science And Technology
Discovery of dopamine D4 receptor antagonists with planar chirality.EBI
Bioorg Med Chem 21: 1680-4 (2013)
Friedrich-Alexander University
Selective aminopeptidase-N (CD13) inhibitors with relevance to cancer chemotherapy.EBI
Bioorg Med Chem 21: 2135-44 (2013)
Universit£
Solubility-driven optimization of (pyridin-3-yl) benzoxazinyl-oxazolidinones leading to a promising antibacterial agent.EBI
J Med Chem 56: 2642-50 (2013)
Chinese Academy Of Sciences
Evaluation of difluoromethyl ketones as agonists of the¿-aminobutyric acid type B (GABAB) receptor.EBI
J Med Chem 56: 2456-65 (2013)
Purdue University
2-Arylpyrazolo[4,3-d]pyrimidin-7-amino derivatives as new potent and selective human A3 adenosine receptor antagonists. Molecular modeling studies and pharmacological evaluation.EBI
J Med Chem 56: 2256-69 (2013)
Universit£
The discovery of novel potent trans-3,4-disubstituted pyrrolidine inhibitors of the human aspartic protease renin from in silico three-dimensional (3D) pharmacophore searches.EBI
J Med Chem 56: 2207-17 (2013)
Novartis Pharma
Synthesis of tacrine-lophine hybrids via one-pot four component reaction and biological evaluation as acetyl- and butyrylcholinesterase inhibitors.EBI
Eur J Med Chem 62: 556-63 (2013)
Universidade Federal Do Rio Grande Do Sul
Farnesyl diphosphate synthase inhibitors from in silico screening.BDB
Chem Biol Drug Des 81: 742-8 (2013)
University Of California San Diego
Novel inhibitors of protein arginine deiminase with potential activity in multiple sclerosis animal model.EBI
J Med Chem 56: 1715-22 (2013)
University Health Network
Synthesis of a novel series of 2-alkylthio substituted naphthoquinones as potent acyl-CoA: cholesterol acyltransferase (ACAT) inhibitors.EBI
Eur J Med Chem 62: 515-25 (2013)
Dongguk University-Seoul
Opioid peptidomimetics: leads for the design of bioavailable mixed efficacyµ opioid receptor (MOR) agonist/d opioid receptor (DOR) antagonist ligands.EBI
J Med Chem 56: 2139-49 (2013)
University Of Michigan
Incorporation of rapid thermodynamic data in fragment-based drug discovery.EBI
J Med Chem 56: 2155-9 (2013)
The University Of Tokyo
3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells.EBI
Bioorg Med Chem Lett 23: 1639-42 (2013)
Hanyang University
Substituted piperidinyl glycinyl 2-cyano-4,5-methano pyrrolidines as potent and stable dipeptidyl peptidase IV inhibitors.EBI
Bioorg Med Chem Lett 23: 1622-5 (2013)
Bristol-Myers Squibb Research And Development
Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.EBI
Bioorg Med Chem Lett 23: 1604-7 (2013)
Bristol-Myers Squibb R & D
Amino acid derived quinazolines as Rock/PKA inhibitors.EBI
Bioorg Med Chem Lett 23: 1592-9 (2013)
Translational Research Institute
Spirocyclic replacements for the isatin in the highly selective, muscarinic M1 PAM ML137: the continued optimization of an MLPCN probe molecule.EBI
Bioorg Med Chem Lett 23: 1860-4 (2013)
Vanderbilt University Medical Center
Synthesis and biological evaluation of pyridazine derivatives as novel HIV-1 NNRTIs.EBI
Bioorg Med Chem 21: 2128-34 (2013)
Shandong University
Novel imidazophenoxazine-4-sulfonamides: their synthesis and evaluation as potential inhibitors of PDE4.EBI
Bioorg Med Chem 21: 1952-63 (2013)
Ckm Arts And Science College
Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches.EBI
Bioorg Med Chem 21: 1944-51 (2013)
Centro De Investigaci�N Pr�Ncipe Felipe
Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors.EBI
Bioorg Med Chem 21: 1964-71 (2013)
Rhodes University
Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.EBI
Bioorg Med Chem 21: 2018-24 (2013)
Kyung Hee University
Investigation ofs receptors agonist/antagonist activity through N-(6-methoxytetralin-1-yl)- and N-(6-methoxynaphthalen-1-yl)alkyl derivatives of polymethylpiperidines.EBI
Bioorg Med Chem 21: 1865-9 (2013)
Universit£
Structure-based discovery of cellular-active allosteric inhibitors of FAK.EBI
Bioorg Med Chem Lett 23: 1779-85 (2013)
Takeda Pharmaceutical
Spirocyclic compounds, potent CCR1 antagonists.EBI
Bioorg Med Chem Lett 23: 1883-6 (2013)
Astrazeneca
Synthesis and evaluation of methylsulfonylnitrobenzamides (MSNBAs) as inhibitors of the thyroid hormone receptor-coactivator interaction.EBI
Bioorg Med Chem Lett 23: 1891-5 (2013)
St. Jude Children'S Research Hospital
3D-QSAR and docking studies of pentacycloundecylamines at the sigma-1 (s1) receptor.EBI
Bioorg Med Chem Lett 23: 1707-11 (2013)
Northeast Ohio Medical University
Discovery of a novel series of quinolonea7 nicotinic acetylcholine receptor agonists.EBI
Bioorg Med Chem Lett 23: 1684-8 (2013)
Bristol-Myers Squibb Pharmaceutical Research Institute
Triazolo and imidazo dihydropyrazolopyrimidine potassium channel antagonists.EBI
Bioorg Med Chem Lett 23: 1743-7 (2013)
Bristol-Myers Squibb
Anion inhibition studies of thea-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.EBI
Bioorg Med Chem Lett 23: 1636-8 (2013)
Universit£
Use of core modification in the discovery of CC214-2, an orally available, selective inhibitor of mTOR kinase.EBI
Bioorg Med Chem Lett 23: 1588-91 (2013)
Celgene
Discovery of novel 2-hydroxydiarylamide derivatives as TMPRSS4 inhibitors.EBI
Bioorg Med Chem Lett 23: 1748-51 (2013)
Korea Research Institute Of Bioscience And Biotechnology
Kinetic and anion inhibition studies of aß-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis.EBI
Bioorg Med Chem Lett 23: 1626-30 (2013)
Istituto Di Biostrutture E Bioimmagini
Discovery of novel 7-membered cyclic amide derivatives that inhibit 11beta-hydroxysteroid dehydrogenase type 1.EBI
Bioorg Med Chem Lett 23: 1617-21 (2013)
Toray Industries
Vegfrecine, an inhibitor of VEGF receptor tyrosine kinases isolated from the culture broth of Streptomyces sp.EBI
J Nat Prod 76: 715-9 (2013)
Institute Of Microbial Chemistry (Bikaken)
Psoralen derivatives as inhibitors of NF-¿B/DNA interaction: synthesis, molecular modeling, 3D-QSAR, and biological evaluation.EBI
J Med Chem 56: 1830-42 (2013)
Universit£
Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.EBI
J Med Chem 56: 1614-28 (2013)
University Of Copenhagen
Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS A▀ Reduction.EBI
ACS Med Chem Lett 3: 897-902 (2012)
TBA
Synthesis of new fluorinated, 2-substituted 5-pyrrolidinylsulfonyl isatin derivatives as caspase-3 and caspase-7 inhibitors: nonradioactive counterparts of putative PET-compatible apoptosis imaging agents.EBI
Bioorg Med Chem 21: 2025-36 (2013)
Westf£Lische Wilhelms-Universit£T M£Nster
Synthesis of novel azo compounds containing 5(4H)-oxazolone ring as potent tyrosinase inhibitors.EBI
Bioorg Med Chem 21: 2088-92 (2013)
Payame Noor University
Synthesis and SAR study of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists.EBI
Bioorg Med Chem Lett 23: 1736-9 (2013)
Korea Research Institute Of Chemical Technology
Arylglycine derivatives as potent transient receptor potential melastatin 8 (TRPM8) antagonists.EBI
Bioorg Med Chem Lett 23: 2234-7 (2013)
Janssen Research And Development
Aspulvinones from a mangrove rhizosphere soil-derived fungus Aspergillus terreus Gwq-48 with anti-influenza A viral (H1N1) activity.EBI
Bioorg Med Chem Lett 23: 1776-8 (2013)
Ocean University Of China
Flavonoids as receptor tyrosine kinase FLT3 inhibitors.EBI
Bioorg Med Chem Lett 23: 1768-70 (2013)
Dongguk University-Seoul
Spiro heterocycles as potential inhibitors of SIRT1: Pd/C-mediated synthesis of novel N-indolylmethyl spiroindoline-3,2'-quinazolines.EBI
Bioorg Med Chem Lett 23: 1351-7 (2013)
University Of Hyderabad Campus
Synthesis and cancer stem cell-based activity of substituted 5-morpholino-7H-thieno[3,2-b]pyran-7-ones designed as next generation PI3K inhibitors.EBI
J Med Chem 56: 1922-39 (2013)
The University Of Arizona
Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure.EBI
J Med Chem 56: 2087-96 (2013)
Vu University Amsterdam
Synthesis and structure-activity relationships of indazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.EBI
J Med Chem 56: 1946-60 (2013)
Glaxosmithkline
New chemotypes as Trypanosoma cruzi triosephosphate isomerase inhibitors: a deeper insight into the mechanism of inhibition.BDB
J Enzyme Inhib Med Chem 29: 198-204 (2014)
Universidad De La Republica
A nonionic inhibitor with high specificity for the UDP-Gal donor binding site of human blood group B galactosyltransferase: design, synthesis, and characterization.EBI
J Med Chem 56: 2150-4 (2013)
University Of Hamburg
Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation.EBI
J Med Chem 56: 2045-58 (2013)
University Of Pittsburgh
Olive secoiridoids and semisynthetic bioisostere analogues for the control of metastatic breast cancer.EBI
Bioorg Med Chem 21: 2117-27 (2013)
University Of Louisiana At Monroe
Synthesis of tetrahydroxybiphenyls and tetrahydroxyterphenyls and their evaluation as amyloid-? aggregation inhibitors.EBI
Bioorg Med Chem Lett 23: 1703-6 (2013)
Winthrop University
Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells.EBI
Bioorg Med Chem Lett 23: 1834-8 (2013)
Broad Institute Of Mit And Harvard
Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives.EBI
Bioorg Med Chem Lett 23: 1760-2 (2013)
Key Laboratory Of Medicinal Chemistry For Natural Resource (Yunnan University)
The synthesis and SAR of calcitonin gene-related peptide (CGRP) receptor antagonists derived from tyrosine surrogates. Part 2.EBI
Bioorg Med Chem Lett 23: 1870-3 (2013)
Bristol-Myers Squibb Research & Development
Synthetic approaches to DNMT inhibitor SGI-1027 and effects on the U937 leukemia cell line.EBI
Bioorg Med Chem Lett 23: 1631-5 (2013)
Universidade De Vigo
Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents.BDB
J Enzyme Inhib Med Chem 29: 215-22 (2014)
Msa University
Interaction of silymarin flavonolignans with organic anion-transporting polypeptides.EBI
Drug Metab Dispos 41: 958-65 (2013)
University Of North Carolina At Chapel Hill
Synthesis and biological evaluation of guanidino analogues of roscovitine.EBI
Eur J Med Chem 62: 443-52 (2013)
Palack£
Design, Synthesis, Structural Characterization by IR, (1) H, (13) C, (15) N, 2D-NMR, X-Ray Diffraction and Evaluation of a New Class of Phenylaminoacetic Acid Benzylidene Hydrazines as pfENR Inhibitors.BDB
Chem Biol Drug Des 81: 715-29 (2013)
Bombay College Of Pharmacy
Mexican antidiabetic herbs: valuable sources of inhibitors ofa-glucosidases.EBI
J Nat Prod 76: 468-83 (2013)
Universidad Nacional Aut£Noma De M£Xico
Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization.EBI
J Med Chem 56: 2160-4 (2013)
University Of Copenhagen
Discovery and optimization of a novel series of potent mutant B-Raf(V600E) selective kinase inhibitors.EBI
J Med Chem 56: 1996-2015 (2013)
Astrazeneca
Design and optimization of selective protein kinase C¿ (PKC¿) inhibitors for the treatment of autoimmune diseases.EBI
J Med Chem 56: 1799-810 (2013)
Vertex Pharmaceuticals
?-(Substituted-phenoxyacetoxy)-?-heterocyclylmethylphosphonates: synthesis, herbicidal activity, inhibition on pyruvate dehydrogenase complex (PDHc), and application as postemergent herbicide against broadleaf weeds.EBI
J Agric Food Chem 61: 2479-88 (2013)
Central China Normal University
Involvement of organic anion-transporting polypeptides in the hepatic uptake of dioscin in rats and humans.EBI
Drug Metab Dispos 41: 994-1003 (2013)
Dalian Medical University
In vitro activity of scorpiand-like azamacrocycle derivatives in promastigotes and intracellular amastigotes of Leishmania infantum and Leishmania braziliensis.EBI
Eur J Med Chem 62: 466-77 (2013)
Universidad De Granada
Characterization of a selective CaMKII peptide inhibitor.EBI
Eur J Med Chem 62: 425-34 (2013)
University Of Naples Federico Ii
Phosphorothioate analogs of sn-2 radyl lysophosphatidic acid (LPA): metabolically stabilized LPA receptor agonists.EBI
Bioorg Med Chem Lett 23: 1865-9 (2013)
The University Of Utah
Synthesis of tartaric acid analogues of FR258900 and their evaluation as glycogen phosphorylase inhibitors.EBI
Bioorg Med Chem Lett 23: 1789-92 (2013)
University Of Debrecen
Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based virtual screening and chemical optimization.EBI
Bioorg Med Chem Lett 23: 1817-22 (2013)
Sanofi-Aventis Deutschland
Synthesis and biological evaluation of 1-(2-hydroxy-3-phenyloxypropyl)piperazine derivatives as T-type calcium channel blockers.EBI
Bioorg Med Chem Lett 23: 1887-90 (2013)
Korea Institute Of Science And Technology
Structure-guided design, synthesis and in vitro evaluation of a series of pyrazole-based fatty acid binding protein (FABP) 3 ligands.EBI
Bioorg Med Chem Lett 23: 1662-6 (2013)
Okayama University 1-1-1
Structural analogs of huperzine A improve survival in guinea pigs exposed to soman.EBI
Bioorg Med Chem Lett 23: 1544-7 (2013)
University Of Illinois At Chicago
Small molecule inhibitors of PCNA/PIP-box interaction suppress translesion DNA synthesis.EBI
Bioorg Med Chem 21: 1972-7 (2013)
St. Jude Children'S Research Hospital
Design, synthesis, and binding mode prediction of 2-pyridone-based selective CB2 receptor agonists.EBI
Bioorg Med Chem 21: 2045-55 (2013)
Shionogi Pharmaceutical Research Center
Novel pseudopeptides incorporating a benzodiazepine-based turn mimetic--targeting Mycobacterium tuberculosis ribonucleotide reductase.EBI
Bioorg Med Chem 21: 1992-2000 (2013)
Uppsala University
Novel symmetrical ureas as modulators of protein arginine methyl transferases.EBI
Bioorg Med Chem 21: 2056-67 (2013)
Universidade De Vigo
Novel sulfamides as potential carbonic anhydrase isoenzymes inhibitors.EBI
Bioorg Med Chem 21: 1379-85 (2013)
Atat£Rk University
Synthesis and biological evaluation of substituted imidazoquinoline derivatives as mPGES-1 inhibitors.EBI
Bioorg Med Chem 21: 2068-78 (2013)
Dainippon Sumitomo Pharma
4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.EBI
Bioorg Med Chem 21: 2093-106 (2013)
Vilnius University Institute Of Biotechnology
Antidepressant abietane diterpenoids from Chinese eaglewood.EBI
J Nat Prod 76: 216-22 (2013)
Chinese Academy Of Medical Sciences And Peking Union Medical College
Discovery of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an orally bioavailable, potent inhibitor of Akt kinases.EBI
J Med Chem 56: 2059-73 (2013)
Astrazeneca
Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity.EBI
J Med Chem 56: 2125-38 (2013)
Astrazeneca
Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models.EBI
J Med Chem 56: 1878-93 (2013)
The Beatson Institute For Cancer Research
1,2,3,4,6-Penta-O-galloyl-?-D-glucopyranose inhibits angiogenesis via inhibition of capillary morphogenesis gene 2.EBI
J Med Chem 56: 1940-5 (2013)
Harvard Medical School
Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR).EBI
J Med Chem 56: 2218-34 (2013)
Exelixis
Discovery of novel inhibitors targeting the Mycobacterium tuberculosis O-acetylserine sulfhydrylase (CysK1) using virtual high-throughput screening.EBI
Bioorg Med Chem Lett 23: 1182-6 (2013)
Birla Institute Of Technology
Design and synthesis of 3,5-diaryl-4,5-dihydro-1H-pyrazoles as new tyrosinase inhibitors.EBI
Bioorg Med Chem 21: 2156-62 (2013)
Sun Yat-Sen University
Design, modification and 3D QSAR studies of novel naphthalin-containing pyrazoline derivatives with/without thiourea skeleton as anticancer agents.EBI
Bioorg Med Chem 21: 1050-63 (2013)
Nanjing University
Cloning, characterization, and sulfonamide and thiol inhibition studies of ana-carbonic anhydrase from Trypanosoma cruzi, the causative agent of Chagas disease.EBI
J Med Chem 56: 1761-71 (2013)
University Of Tampere And Tampere University Hospital
Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro.EBI
J Med Chem 56: 1894-907 (2013)
Kitasato University
Mechanism of retinoid X receptor partial agonistic action of 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid and structural development to increase potency.EBI
J Med Chem 56: 1865-77 (2013)
Okayama University Graduate School Of Medicine
Synthesis and carbonic anhydrase isoenzymes I and II inhibitory effects of novel benzylamine derivatives.BDB
J Enzyme Inhib Med Chem 29: 168-74 (2014)
AtatŘrk University
Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for blood-brain barrier transport by murine equilibrative nucleoside transporter 1 mENT1.EBI
Drug Metab Dispos 41: 916-22 (2013)
Gilead Sciences
Sesquiterpenes from the rhizomes of Curcuma heyneana.EBI
J Nat Prod 76: 223-9 (2013)
University Of Toyama
Reversible inhibition of human carboxylesterases by acyl glucuronides.EBI
Drug Metab Dispos 41: 698-703 (2013)
Eisai
Synthesis and antibacterial activities of new piperidine substituted (5R)-[1,2,3]triazolylmethyl and (5R)-[(4-F-[1,2,3]triazolyl)methyl] oxazolidinones.EBI
Bioorg Med Chem Lett 23: 1193-6 (2013)
Korea Institute Science And Technology
Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma.EBI
Bioorg Med Chem Lett 23: 1220-4 (2013)
Trinity College
Novel acylethanolamide derivatives that modulate body weight through enhancement of hypothalamic pro-opiomelanocortin (POMC) and/or decreased neuropeptide Y (NPY).EBI
J Med Chem 56: 1811-29 (2013)
Hebrew University Of Jerusalem
Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors.EBI
Bioorg Med Chem 21: 1064-73 (2013)
Hainan University
Highly potent and selective cannabinoid receptor 2 agonists: initial hit optimization of an adamantyl hit series identified from high-through-put screening.EBI
Bioorg Med Chem Lett 23: 1177-81 (2013)
F. Hoffmann-La Roche
Cinnamic acid derivatives as inhibitors for chorismatases and isochorismatases.EBI
Bioorg Med Chem Lett 23: 1477-81 (2013)
University Of Freiburg
Design, synthesis, and SAR of N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine transporter-1.EBI
Bioorg Med Chem Lett 23: 1257-61 (2013)
Amri
Montmorillonite K-10 catalyzed green synthesis of 2,6-unsubstituted dihydropyridines as potential inhibitors of PDE4.EBI
Eur J Med Chem 62: 395-404 (2013)
Dr. Reddy'S Laboratories
Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.EBI
J Med Chem 56: 2294-310 (2013)
Merck
Torsion angle preferences in druglike chemical space: a comprehensive guide.EBI
J Med Chem 56: 2016-28 (2013)
University Of Hamburg
Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists.EBI
J Med Chem 56: 1693-703 (2013)
University Of Arkansas For Medical Sciences
Absorption, elimination, and metabolism of CS-1036, a novela-amylase inhibitor in rats and monkeys, and the relationship between gastrointestinal distribution and suppression of glucose absorption.EBI
Drug Metab Dispos 41: 878-87 (2013)
Daiichi Sankyo
Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation.EBI
Eur J Med Chem 62: 379-94 (2013)
Universit£
Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers.EBI
Eur J Med Chem 62: 352-70 (2013)
University Of Patras
Towards dual antithrombotic compounds - balancing thrombin inhibitory and fibrinogen GPIIb/IIIa binding inhibitory activities of 2,3-dihydro-1,4-benzodioxine derivatives through regio- and stereoisomerism.EBI
Eur J Med Chem 62: 329-40 (2013)
University Of Ljubljana
Synthesis and biological evaluation of 1,3,4-thiadiazole analogues as novel AChE and BuChE inhibitors.EBI
Eur J Med Chem 62: 311-9 (2013)
University Of Life Sciences
Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.EBI
Eur J Med Chem 62: 301-10 (2013)
Fudan University
Potent BRAF kinase inhibitors based on 2,4,5-trisubstituted imidazole with naphthyl and benzothiophene 4-substituents.EBI
Bioorg Med Chem 21: 1284-304 (2013)
The Institute Of Cancer Research
Synthesis and structure-activity relationship analysis of caffeic acid amides as selective matrix metalloproteinase inhibitors.EBI
Bioorg Med Chem Lett 23: 1206-11 (2013)
Nanjing University Of Chinese Medicine
Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.EBI
Bioorg Med Chem Lett 23: 1212-6 (2013)
Astrazeneca
Critical role of a methyl group on the¿-lactone ring of annonaceous acetogenins in the potent inhibition of mitochondrial complex I.EBI
Bioorg Med Chem Lett 23: 1217-9 (2013)
Kyoto Pharmaceutical University
Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.EBI
Bioorg Med Chem Lett 23: 1279-84 (2013)
University Of Connecticut
Hybrids consisting of the pharmacophores of salmeterol and roflumilast or phthalazinone: dualß2-adrenoceptor agonists-PDE4 inhibitors for the treatment of COPD.EBI
Bioorg Med Chem Lett 23: 1548-52 (2013)
Sun Yat-Sen University
Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.EBI
Bioorg Med Chem 21: 1109-15 (2013)
The University Of Tokyo
The effect of absolute configuration on activity, subtype selectivity (M3/M2) of 3a-acyloxy-6ß-acetoxyltropane derivatives as muscarinic M3 receptor antagonists.EBI
Bioorg Med Chem 21: 1234-9 (2013)
Shanghai Jiao Tong University
Selective inhibition of glycosyltransferases by bivalent imidazolium salts.EBI
Bioorg Med Chem 21: 1305-11 (2013)
Queen'S University
N2-Trimethylacetyl substituted and unsubstituted-N4-phenylsubstituted-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines: design, cellular receptor tyrosine kinase inhibitory activities and in vivo evaluation as antiangiogenic, antimetastatic and antitumor agents.EBI
Bioorg Med Chem 21: 1312-23 (2013)
Duquesne University
Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp.EBI
Bioorg Med Chem Lett 23: 1370-4 (2013)
Universit£
Inhibition of monoamine oxidase by phthalide analogues.EBI
Bioorg Med Chem Lett 23: 1269-73 (2013)
North-West University
1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanones as novel CCR1 antagonists.EBI
Bioorg Med Chem Lett 23: 1228-31 (2013)
Chemocentryx
Discovery of (1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide, a potent and orally efficacious mGlu5 receptor negative allosteric modulator.EBI
Bioorg Med Chem Lett 23: 1249-52 (2013)
Eli Lilly
Inhibiting NF-¿B-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.EBI
Bioorg Med Chem Lett 23: 1238-44 (2013)
Amgen
Synthesis and biological evaluation of 5-nitropyrimidine analogs with azabicyclic substituents as GPR119 agonists.EBI
Bioorg Med Chem Lett 23: 1519-21 (2013)
College Of Pharmacy Of Kangwon National University
Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design.EBI
J Med Chem 56: 1843-52 (2013)
University Of Leeds
Potential role of UGT1A4 promoter SNPs in anastrozole pharmacogenomics.EBI
Drug Metab Dispos 41: 870-7 (2013)
University Of Arkansas For Medical Sciences
The inactivation of human CYP2E1 by phenethyl isothiocyanate, a naturally occurring chemopreventive agent, and its oxidative bioactivation.EBI
Drug Metab Dispos 41: 858-69 (2013)
University Of Michigan Medical School
Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 1.EBI
Bioorg Med Chem Lett 23: 1285-7 (2013)
Kitasato University
Biological profile of the less lipophilic and synthetically more accessible bryostatin 7 closely resembles that of bryostatin 1.BDB
ACS Chem Biol 8: 767-77 (2013)
National Cancer Institute-Bethesda
Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists.EBI
J Med Chem 56: 1704-14 (2013)
Bristol-Myers Squibb Research And Development
Potent and selective inhibition of histone deacetylase 6 (HDAC6) does not require a surface-binding motif.EBI
J Med Chem 56: 1772-6 (2013)
Broad Institute Of Mit And Harvard
The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.BDB
Biochemistry 52: 1776-1787 (2013)
University Of Auckland
Fluorinated N,N-dialkylaminostilbenes repress colon cancer by targeting methionine S-adenosyltransferase 2A.BDB
ACS Chem Biol 8: 796-803 (2013)
University Of Kentucky
Modulation of cytochromes P450 with xanthone-based molecules: from aromatase to aldosterone synthase and steroid 11ß-hydroxylase inhibition.EBI
J Med Chem 56: 1723-9 (2013)
University Of Bologna
Pharmacological chaperones as therapeutics for lysosomal storage diseases.EBI
J Med Chem 56: 2705-25 (2013)
Amicus Therapeutics
Development of inhibitors of the PAS-B domain of the HIF-2a transcription factor.EBI
J Med Chem 56: 1739-47 (2013)
University Of Texas Southwestern Medical Center
Structure-activity relationship studies of pyrazolo[3,4-d]pyrimidine derivatives leading to the discovery of a novel multikinase inhibitor that potently inhibits FLT3 and VEGFR2 and evaluation of its activity against acute myeloid leukemia in vitro and in vivo.EBI
J Med Chem 56: 1641-55 (2013)
Sichuan University
Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.EBI
J Med Chem 56: 1748-60 (2013)
Trius Therapeutics
Biselectivity of isoDGR peptides for fibronectin binding integrin subtypesa5ß1 andavß6: conformational control through flanking amino acids.EBI
J Med Chem 56: 1509-19 (2013)
Technische Universit£T M£Nchen
A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors.EBI
J Med Chem 56: 1583-95 (2013)
Universit£
Development of¿ opioid receptor antagonists.EBI
J Med Chem 56: 2178-95 (2013)
Research Triangle Institute
Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Ka.EBI
J Med Chem 56: 712-21 (2013)
Celgene Avilomics Research
2D