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29999316 29 Pseudomonas aeruginosa Quorum Sensing Systems as Drug Discovery Targets: Current Position and Future Perspectives.EBI J Med Chem 61: 10385-10402 (2018) University of Nottingham 2D 3D TSV
29995408 293 Identification of the 4-Position of 3-Alkynyl and 3-Heteroaromatic Substituted Pyridine Methanamines as a Key Modification Site Eliciting Increased Potency and Enhanced Selectivity for Cytochrome P-450 2A6 Inhibition.EBI J Med Chem 61: 7065-7086 (2018) Washington State University 2D 3D TSV
29990434 24 Optimizing a Weakly Binding Fragment into a Potent ROR?t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.EBI J Med Chem 61: 6724-6735 (2018) TBA 2D 3D TSV
29990431 138 Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.EBI J Med Chem 61: 6830-6845 (2018) University of California San Francisco 2D 3D TSV
29989817 13 25 S-Adamantyl-23-yne-26,27-dinor-1?,25-dihydroxyvitamin DEBI J Med Chem 61: 6658-6673 (2018) Universidad de Santiago de Compostela 2D 3D TSV
29989811 6 Swinhoeisterols from the South China Sea Sponge Theonella swinhoei.EBI J Nat Prod 81: 1645-1650 (2018) Second Military Medical University 2D 3D TSV
29985601 64 Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) Inhibitors as Potential Therapeutics.EBI J Med Chem 61: 9791-9810 (2018) Seoul National University 2D 3D TSV
29983285 4 Antiplasmodial activity of hydroxyethylamine analogs: Synthesis, biological activity and structure activity relationship of plasmepsin inhibitors.EBI Bioorg Med Chem 26: 3837-3844 (2018) University of Delhi 2D 3D TSV
29983281 4 Polysaccharide deacetylases serve as new targets for the design of inhibitors against Bacillus anthracis and Bacillus cereus.EBI Bioorg Med Chem 26: 3845-3851 (2018) Foundation for Research& Technology-Hellas 2D 3D TSV
29983280 46 The synthesis and evaluation of phenoxyacylhydroxamic acids as potential agents for Helicobacter pylori infections.EBI Bioorg Med Chem 26: 4145-4152 (2018) Jishou University 2D 3D TSV
29980364 28 Synthesis and biological properties of aryl methyl sulfones.EBI Bioorg Med Chem 26: 4113-4126 (2018) Universitat de Barcelona 2D 3D TSV
29980358 31 Discovery of novel selective GPR120 agonists with potent anti-diabetic activity by hybrid design.EBI Bioorg Med Chem Lett 28: 2599-2604 (2018) China Pharmaceutical University 2D 3D TSV
29980357 1 Inducing protein-protein interactions with molecular glues.EBI Bioorg Med Chem Lett 28: 2585-2592 (2018) Pfizer Inc. 2D 3D TSV
29979591 2 Macrophilones from the Marine Hydroid Macrorhynchia philippina Can Inhibit ERK Cascade Signaling.EBI J Nat Prod 81: 1666-1672 (2018) National Cancer Institute 2D 3D TSV
29975529 3 Discovery of 5-Cyano-6-phenylpyrimidin Derivatives Containing an Acylurea Moiety as Orally Bioavailable Reversal Agents against P-Glycoprotein-Mediated Mutidrug Resistance.EBI J Med Chem 61: 5988-6001 (2018) Zhengzhou University 2D 3D TSV
29972644 19 Novel Highly Potent and Metabolically Resistant Oxoeicosanoid (OXE) Receptor Antagonists That Block the Actions of the Granulocyte Chemoattractant 5-Oxo-6,8,11,14-Eicosatetraenoic Acid (5-oxo-ETE).EBI J Med Chem 61: 5934-5948 (2018) Florida Institute of Technology 2D 3D TSV
29970308 11 Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand.EBI Bioorg Med Chem Lett 28: 2605-2610 (2018) Purdue University 2D 3D TSV
29969260 2 Natural Inhibitors of the RhoA-p115 Complex from the Bark of Meiogyne baillonii.EBI J Nat Prod 81: 1610-1618 (2018) Universit£ Paris-Saclay 2D 3D TSV
29969259 21 Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.EBI J Med Chem 61: 7573-7588 (2018) University of Maryland 2D 3D TSV
29969256 21 Fibrogenic Disorders in Human Diseases: From Inflammation to Organ Dysfunction.EBI J Med Chem 61: 9811-9840 (2018) Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) 2D 3D TSV
29969030 24 Contilisant, a Tetratarget Small Molecule for Alzheimer's Disease Therapy Combining Cholinesterase, Monoamine Oxidase Inhibition, and H3R Antagonism with S1R Agonism Profile.EBI J Med Chem 61: 6937-6943 (2018) IQOG, CSIC 2D 3D TSV
29969029 32 De Novo Design, Synthesis, and Biological Evaluation of 3,4-Disubstituted Pyrrolidine Sulfonamides as Potent and Selective Glycine Transporter 1 Competitive Inhibitors.EBI J Med Chem 61: 7486-7502 (2018) AbbVie Inc. 2D 3D TSV
29966916 11 Design, synthesis, inávitro and in silico evaluation of a new series of oxadiazole-based anticancer agents as potential Akt and FAK inhibitors.EBI Eur J Med Chem 155: 905-924 (2018) Anadolu University 2D 3D TSV
29966094 4 Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.EBI J Med Chem 61: 5910-5921 (2018) Biological Research Center 2D 3D TSV
29965759 26 2,4-Diaminoquinazolines as Dual Toll-like Receptor (TLR) 7/8 Modulators for the Treatment of Hepatitis B Virus.EBI J Med Chem 61: 6236-6246 (2018) Janssen Infectious Diseases-Diagnostics BVBA 2D 3D TSV
29965752 158 Optimization of N-Substituted Oseltamivir Derivatives as Potent Inhibitors of Group-1 and -2 Influenza A Neuraminidases, Including a Drug-Resistant Variant.EBI J Med Chem 61: 6379-6397 (2018) Shandong University 2D 3D TSV
29962205 100 Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.EBI J Med Chem 61: 6328-6338 (2018) University of Florence 2D 3D TSV
29960729 58 Design, synthesis, and biological evaluation of novel oxadiazole- and thiazole-based histamine HEBI Bioorg Med Chem 26: 4034-4046 (2018) Heinrich Heine University D£sseldorf 2D 3D TSV
29960728 29 Design, synthesis and evaluation of novel bivalent ?-carboline derivatives as multifunctional agents for the treatment of Alzheimer's disease.EBI Bioorg Med Chem 26: 3812-3824 (2018) China Pharmaceutical University 2D 3D TSV
29960207 1 Targeting prohibitin with small molecules to promote melanogenesis and apoptosis in melanoma cells.EBI Eur J Med Chem 155: 880-888 (2018) CNRS/University of Strasbourg 2D 3D TSV
29958762 50 Discovery and characterization of N-(1,3-dialkyl-1H-indazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine scaffold as mGluEBI Bioorg Med Chem Lett 28: 2641-2646 (2018) Vanderbilt University 2D 3D TSV
29958119 28 Tacripyrimidines, the first tacrine-dihydropyrimidine hybrids, as multi-target-directed ligands for Alzheimer's disease.EBI Eur J Med Chem 155: 839-846 (2018) Laboratory of Medicinal Chemistry (IQOG, CSIC) 2D 3D TSV
29957526 85 X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.EBI Eur J Med Chem 155: 806-823 (2018) West China School of Pharmacy 2D 3D TSV
29954683 18 Design, synthesis and anticancer evaluation of acridine hydroxamic acid derivatives as dual Topo and HDAC inhibitors.EBI Bioorg Med Chem 26: 3958-3966 (2018) Tsinghua University 2D 3D TSV
29954682 14 Design, synthesis and biological evaluation of nitric oxide releasing derivatives of dapagliflozin as potential anti-diabetic and anti-thrombotic agents.EBI Bioorg Med Chem 26: 3947-3952 (2018) Guangdong Pharmaceutical University 2D 3D TSV
29953812 24 Optimization of Isothiazolo[4,3- b]pyridine-Based Inhibitors of Cyclin G Associated Kinase (GAK) with Broad-Spectrum Antiviral Activity.EBI J Med Chem 61: 6178-6192 (2018) Stanford University 2D 3D TSV
29953809 88 Discovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo Efficacy.EBI J Med Chem 61: 6518-6545 (2018) Universidad de Oviedo-Principado de Asturias 2D 3D TSV
29953808 7 Exploration of Benzothiazole Rhodacyanines as Allosteric Inhibitors of Protein-Protein Interactions with Heat Shock Protein 70 (Hsp70).EBI J Med Chem 61: 6163-6177 (2018) University of California at San Francisco 2D 3D TSV
29952567 107 Discovery of a Potent, Orally Bioavailable PI4KIII? Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.EBI J Med Chem 61: 6705-6723 (2018) UCB Pharma 2D 3D TSV
29945795 32 Merging of ruxolitinib and vorinostat leads to highly potent inhibitors of JAK2 and histone deacetylase 6 (HDAC6).EBI Bioorg Med Chem Lett 28: 2636-2640 (2018) National University of Singapore 2D 3D TSV
29945794 193 ROCK inhibitors 2. Improving potency, selectivity and solubility through the application of rationally designed solubilizing groups.EBI Bioorg Med Chem Lett 28: 2616-2621 (2018) Vertex Pharmaceuticals, Inc 2D 3D TSV
29945757 70 Design, synthesis and pharmacology of aortic-selective acyl-CoA: Cholesterol O-acyltransferase (ACAT/SOAT) inhibitors.EBI Bioorg Med Chem 26: 4001-4013 (2018) Kowa Co., Ltd. 2D 3D TSV
29945756 29 Design and synthesis of alkyl substituted pyridino[2,3-D]pyrimidine compounds as PI3K?/mTOR dual inhibitors with improved pharmacokinetic properties and potent in vivo antitumor activity.EBI Bioorg Med Chem 26: 3992-4000 (2018) Nanjing University of Chinese Medicine 2D 3D TSV
29944371 79 Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.EBI J Med Chem 61: 6779-6800 (2018) Pfizer Inc. 2D 3D TSV
29944370 4 Izenamides A and B, Statine-Containing Depsipeptides, and an Analogue from a Marine Cyanobacterium.EBI J Nat Prod 81: 1673-1681 (2018) Keio University 2D 3D TSV
29941193 73 Identification of PKMYT1 inhibitors by screening the GSK published protein kinase inhibitor set I and II.EBI Bioorg Med Chem 26: 4014-4024 (2018) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
29940463 46 Design and biological evaluation of novel triaryl pyrazoline derivatives with dioxane moiety for selective BRAFEBI Eur J Med Chem 155: 725-735 (2018) Nanjing University 2D 3D TSV
29940462 24 5-Hydroxypyrido[2,3-b]pyrazin-6(5H)-one derivatives as novel dual inhibitors of HIV-1 reverse transcriptase-associated ribonuclease H and integrase.EBI Eur J Med Chem 155: 714-724 (2018) Shandong University 2D 3D TSV
29940121 91 Design of Potent pan-IAP and Lys-Covalent XIAP Selective Inhibitors Using a Thermodynamics Driven Approach.EBI J Med Chem 61: 6350-6363 (2018) University of California Riverside 2D 3D TSV
29940120 46 Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-?B Inducing Kinase.EBI J Med Chem 61: 6801-6813 (2018) Genentech 2D 3D TSV
29940115 55 Discovery of Janus Kinase 2 (JAK2) and Histone Deacetylase (HDAC) Dual Inhibitors as a Novel Strategy for the Combinational Treatment of Leukemia and Invasive Fungal Infections.EBI J Med Chem 61: 6056-6074 (2018) Second Military Medical University 2D 3D TSV
29939746 30 Synthesis and Evaluation of a Novel Bivalent Selective Antagonist for the Mu-Delta Opioid Receptor Heterodimer that Reduces Morphine Withdrawal in Mice.EBI J Med Chem 61: 6075-6086 (2018) TBA 2D 3D TSV
29939742 10 Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors.EBI J Med Chem 61: 6034-6055 (2018) University of Turin 2D 3D TSV
29939028 17 Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity.EBI J Med Chem 61: 6140-6152 (2018) University of Salerno 2D 3D TSV
29937983 9 Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme NOTUM Developed by Activity-Based Protein Profiling.EBI ACS Med Chem Lett 9: 563-568 (2018) The Scripps Research Institute 2D 3D TSV
29937979 30 Development of Highly Potent and Selective Steroidal Inhibitors and Degraders of CDK8.EBI ACS Med Chem Lett 9: 540-545 (2018) Dana-Farber Cancer Institute 2D 3D TSV
29937975 22 Expansion of cat-ELCCA for the Discovery of Small Molecule Inhibitors of the Pre-let-7-Lin28 RNA-Protein Interaction.EBI ACS Med Chem Lett 9: 517-521 (2018) University of Michigan 2D 3D TSV
29937355 8 Design, synthesis and biological evaluation of novel series of 2H-benzo[b][1,4]oxazin-3(4H)-one and 2H-benzo[b][1,4]oxazine scaffold derivatives as PI3K? inhibitors.EBI Bioorg Med Chem 26: 3982-3991 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29936834 5 Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands.EBI J Med Chem 61: 6339-6349 (2018) Showa Pharmaceutical University 2D 3D TSV
29936356 27 Engineering potent mesotrypsin inhibitors based on the plant-derived cyclic peptide, sunflower trypsin inhibitor-1.EBI Eur J Med Chem 155: 695-704 (2018) The University of Queensland 2D 3D TSV
29934246 12 Discovery of a novel 2-(1H-pyrazolo[3,4-b]pyridin-1-yl)thiazole derivative as an EPEBI Bioorg Med Chem Lett 28: 2408-2412 (2018) Asahi Kasei Pharma Corporation 2D 3D TSV
29934245 3 Design and synthesis of selenazole-substituted ritonavir analogs.EBI Bioorg Med Chem Lett 28: 2379-2381 (2018) Chinese Academy of Science 2D 3D TSV
29934244 25 Design, synthesis, and biological evaluation of pyrazole derivatives containing acetamide bond as potential BRAFEBI Bioorg Med Chem Lett 28: 2382-2390 (2018) Nanjing University 2D 3D TSV
29934219 8 Identification by Inverse Virtual Screening of magnolol-based scaffold as new tankyrase-2 inhibitors.EBI Bioorg Med Chem 26: 3953-3957 (2018) University of Salerno 2D 3D TSV
29934218 32 Design, synthesis, in vitro and in vivo evaluation, and structure-activity relationship (SAR) discussion of novel dipeptidyl boronic acid proteasome inhibitors as orally available anti-cancer agents for the treatment of multiple myeloma and mechanism studies.EBI Bioorg Med Chem 26: 3975-3981 (2018) Nanjing Forestry University 2D 3D TSV
29932656 10 Development of a Novel Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist (CH5447240), a Potent and Orally Available Small Molecule for Treatment of Hypoparathyroidism.EBI J Med Chem 61: 5949-5962 (2018) Chugai Pharmaceutical Co., Ltd. 2D 3D TSV
29929882 7 An imidazole based H-Phe-Phe-NHEBI Bioorg Med Chem Lett 28: 2446-2450 (2018) Uppsala University 2D 3D TSV
29927604 90 Discovery and Optimization of 2-Amino-4-methylquinazoline Derivatives as Highly Potent Phosphatidylinositol 3-Kinase Inhibitors for Cancer Treatment.EBI J Med Chem 61: 6087-6109 (2018) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
29925480 26 Selective inhibition of monoamine oxidase A by chelerythrine, an isoquinoline alkaloid.EBI Bioorg Med Chem Lett 28: 2403-2407 (2018) Sunchon National University 2D 3D TSV
29924931 58 Development of New Photoswitchable Azobenzene Based ?-Aminobutyric Acid (GABA) Uptake Inhibitors with Distinctly Enhanced Potency upon Photoactivation.EBI J Med Chem 61: 6211-6235 (2018) Ludwig-Maximilians-University Munich 2D 3D TSV
29921476 25 The mimics of NEBI Bioorg Med Chem Lett 28: 2375-2378 (2018) School of Pharmacy 2D 3D TSV
29921475 37 Lung cancer and matrix metalloproteinases inhibitors of polyphenols from Selaginella tamariscina with suppression activity of migration.EBI Bioorg Med Chem Lett 28: 2413-2417 (2018) Guangxi Normal University 2D 3D TSV
29920453 19 Design, synthesis and bioevaluation of 2-mercapto-6-phenylpyrimidine-4-carboxylic acid derivatives as potent xanthine oxidase inhibitors.EBI Eur J Med Chem 155: 590-595 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29920093 7 Discovery of the Human Immunodeficiency Virus Type 1 (HIV-1) Attachment Inhibitor Temsavir and Its Phosphonooxymethyl Prodrug Fostemsavir.EBI J Med Chem 61: 6308-6327 (2018) TBA 2D 3D TSV
29914772 4 Rational design of novel irreversible inhibitors for human arginase.EBI Bioorg Med Chem 26: 3939-3946 (2018) Brown University 2D 3D TSV
29912561 40 4-Substituted Benzenesulfonamides Incorporating Bi/Tricyclic Moieties Act as Potent and Isoform-Selective Carbonic Anhydrase II/IX Inhibitors.EBI J Med Chem 61: 5765-5770 (2018) Universit£ di Pisa 2D 3D TSV
29910080 8 Synthesis and biological evaluation of pyridine-linked indanone derivatives: Potential agents for inflammatory bowel disease.EBI Bioorg Med Chem Lett 28: 2436-2441 (2018) Yeungnam University 2D 3D TSV
29910079 50 Spiro[pyrrolidine-3,3'-oxindoles] as 5-HTEBI Bioorg Med Chem Lett 28: 2418-2421 (2018) Hungarian Academy of Sciences 2D 3D TSV
29909635 160 Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists.EBI J Med Chem 61: 5974-5987 (2018) AstraZeneca 2D 3D TSV
29909341 4 Identification of fused pyrimidines as interleukin 17 secretion inhibitors.EBI Eur J Med Chem 155: 562-578 (2018) Norwegian University of Science and Technology 2D 3D TSV
29909340 90 Structure-activity relationship studies and pharmacological characterization of NEBI Eur J Med Chem 155: 552-561 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29909339 84 Design and synthesis of novel benzenesulfonamide containing 1,2,3-triazoles as potent human carbonic anhydrase isoforms I, II, IV and IX inhibitors.EBI Eur J Med Chem 155: 545-551 (2018) Kurukshetra University 2D 3D TSV
29908437 13 Studies on 2-phenylquinoline Staphylococcus aureus NorA efflux pump inhibitors: New insights on the C-6 position.EBI Eur J Med Chem 155: 428-433 (2018) University of Perugia 2D 3D TSV
29907471 25 Optimization and in vivo evaluation of pyrazolopyridines as a potent and selective PI3K? inhibitor.EBI Bioorg Med Chem 26: 3917-3924 (2018) Astellas Pharma Inc. 2D 3D TSV
29907470 3 The tyrosinase inhibitory effects of isoxazolone derivatives with a (Z)-?-phenyl-?, ?-unsaturated carbonyl scaffold.EBI Bioorg Med Chem 26: 3882-3889 (2018) Pusan National University 2D 3D TSV
29906396 10 Synthesis and Evaluation of N-Phenyl-3-sulfamoyl-benzamide Derivatives as Capsid Assembly Modulators Inhibiting Hepatitis B Virus (HBV).EBI J Med Chem 61: 6247-6260 (2018) Janssen Pharmaceutical Companies of Johnson & Johnson 2D 3D TSV
29906114 41 Design, Synthesis, and Biological Evaluation of Pyrimido[4,5- d]pyrimidine-2,4(1 H,3 H)-diones as Potent and Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors against L858R/T790M Resistance Mutation.EBI J Med Chem 61: 5609-5622 (2018) East China University of Science and Technology 2D 3D TSV
29903660 154 Discovery of a novel olefin derivative as a highly potent and selective acetyl-CoA carboxylase 2 inhibitor with in vivo efficacy.EBI Bioorg Med Chem Lett 28: 2498-2503 (2018) Shionogi & Co., Ltd 2D 3D TSV
29903414 13 Synthesis, in vitro and in silico studies of novel potent urease inhibitors: N-[4-({5-[(3-Un/substituted-anilino-3-oxopropyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-1,3-thiazol-2-yl]benzamides.EBI Bioorg Med Chem 26: 3791-3804 (2018) Kongju National University 2D 3D TSV
29903413 28 Molecular dynamics simulations of viral neuraminidase inhibitors with the human neuraminidase enzymes: Insights into isoenzyme selectivity.EBI Bioorg Med Chem 26: 5349-5358 (2018) University of Alberta 2D 3D TSV
29902723 199 Structure-activity relationships of imidazothiazinones and analogs as antagonists of the cannabinoid-activated orphan G protein-coupled receptor GPR18.EBI Eur J Med Chem 155: 381-397 (2018) University of Bonn 2D 3D TSV
29902720 80 Structure-based discovery of selective BRPF1 bromodomain inhibitors.EBI Eur J Med Chem 155: 337-352 (2018) University of Zurich 2D 3D TSV
29902719 12 Surmounting the resistance against EGFR inhibitors through the development of thieno[2,3-d]pyrimidine-based dual EGFR/HER2 inhibitors.EBI Eur J Med Chem 155: 316-336 (2018) Ain Shams University 2D 3D TSV
29901398 29 Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional Mimetics.EBI J Med Chem 61: 5442-5447 (2018) Swiss Federal Institute of Technology (ETH) 2D 3D TSV
29901392 22 Constraining Endomorphin-1 by ?,?-Hybrid Dipeptide/Heterocycle Scaffolds: Identification of a Novel ?-Opioid Receptor Selective Partial Agonist.EBI J Med Chem 61: 5751-5757 (2018) University of Bologna 2D 3D TSV
29894944 66 Discovery of the selective and efficacious inhibitors of FLT3 mutations.EBI Eur J Med Chem 155: 303-315 (2018) China Pharmaceutical University 2D 3D TSV
29894182 9 Sterol 14?-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.EBI J Med Chem 61: 5679-5691 (2018) Vanderbilt University School of Medicine 2D 3D TSV
29890830 112 Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces.EBI J Med Chem 61: 6546-6573 (2018) WuXi Apptec (Tianjin) Co. Ltd. 2D 3D TSV
29890389 1 Rational design of mitochondria-targeted pyruvate dehydrogenase kinase 1 inhibitors with improved selectivity and antiproliferative activity.EBI Eur J Med Chem 155: 275-284 (2018) Chongqing University 2D 3D TSV
29889526 4 Identification, Characterization, and Optimization of 2,8-Disubstituted-1,5-naphthyridines as Novel Plasmodium falciparum Phosphatidylinositol-4-kinase Inhibitors with in Vivo Efficacy in a Humanized Mouse Model of Malaria.EBI J Med Chem 61: 5692-5703 (2018) University of Cape Town 2D 3D TSV
29889518 68 Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.EBI J Med Chem 61: 5623-5642 (2018) TBA 2D 3D TSV
29887511 27 Design, synthesis, and biological evaluation of novel biphenyl-4-carboxamide derivatives as orally available TRPV1 antagonists.EBI Bioorg Med Chem 26: 3716-3726 (2018) Astellas Pharma Inc 2D 3D TSV
29887354 26 A cascade synthesis, in vitro cholinesterases inhibitory activity and docking studies of novel Tacrine-pyranopyrazole derivatives.EBI Bioorg Med Chem Lett 28: 2481-2484 (2018) Fr£res Mentouri-Constantine University 2D 3D TSV
29886732 300 Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties.EBI J Med Chem 61: 6018-6033 (2018) Dart NeuroScience LLC 2D 3D TSV
29886325 3 Synthesis, biological evaluation and molecular modeling of novel azaspiro dihydrotriazines as influenza virus inhibitors targeting the host factor dihydrofolate reductase (DHFR).EBI Eur J Med Chem 155: 229-243 (2018) University of Genoa 2D 3D TSV
29886324 28 Design, synthesis, biological evaluation and molecular modeling of novel 1H-pyrazolo[3,4-d]pyrimidine derivatives as BRAFEBI Eur J Med Chem 155: 210-228 (2018) Southern Medical University 2D 3D TSV
29886323 32 Design, synthesis, structure-activity relationships study and X-ray crystallography of 3-substituted-indolin-2-one-5-carboxamide derivatives as PAK4 inhibitors.EBI Eur J Med Chem 155: 197-209 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29886321 20 Rational design of carbamate-based dual binding site and central AChE inhibitors by a "biooxidisable" prodrug approach: Synthesis, inávitro evaluation and docking studies.EBI Eur J Med Chem 155: 171-182 (2018) CNRS 2D 3D TSV
29886083 22 Synthesis, structure-activity relationship and molecular docking studies of 3-O-flavonol glycosides as cholinesterase inhibitors.EBI Bioorg Med Chem 26: 3696-3706 (2018) University of Gujrat 2D 3D TSV
29886082 74 Synthesis and biological evaluation of novel N-substituted nipecotic acid derivatives with an alkyne spacer as GABA uptake inhibitors.EBI Bioorg Med Chem 26: 3668-3687 (2018) Ludwig-Maximilians-Universit£t M£nchen 2D 3D TSV
29886021 6 Synthesis and biological evaluation of curcumin derivatives modified with ?-amino boronic acid as proteasome inhibitors.EBI Bioorg Med Chem Lett 28: 2459-2464 (2018) Peking University 2D 3D TSV
29885574 14 Design, synthesis, molecular modeling and anti-proliferative evaluation of novel quinoxaline derivatives as potential DNA intercalators and topoisomerase II inhibitors.EBI Eur J Med Chem 155: 117-134 (2018) Al-Azhar University 2D 3D TSV
29884582 42 Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.EBI Bioorg Med Chem 26: 3639-3653 (2018) Asubio Pharma Co., Ltd 2D 3D TSV
29884581 13 Synthesis of sulfadiazinyl acyl/aryl thiourea derivatives as calf intestinal alkaline phosphatase inhibitors, pharmacokinetic properties, lead optimization, Lineweaver-Burk plot evaluation and binding analysis.EBI Bioorg Med Chem 26: 3707-3715 (2018) Quaid-i-Azam University 2D 3D TSV
29884534 21 Discovery of 2-(3,5-difluoro-4-methylsulfonaminophenyl)propanamides as potent TRPV1 antagonists.EBI Bioorg Med Chem Lett 28: 2539-2542 (2018) Seoul National University 2D 3D TSV
29883545 6 Succinimide-Based Conjugates Improve IsoDGR Cyclopeptide Affinity to ?EBI J Med Chem 61: 7474-7485 (2018) IRCCS Ospedale San Raffaele 2D 3D TSV
29883536 6 Second Generation of Mannich Base-Type Derivatives with in Vivo Activity against Trypanosoma cruzi.EBI J Med Chem 61: 5643-5663 (2018) Hospitales Universitarios De Granada/University of Granada 2D 3D TSV
29883107 32 Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.EBI J Med Chem 61: 5719-5732 (2018) Aix-Marseille University 2D 3D TSV
29880400 9 Characterizing hydration sites in protein-ligand complexes towards the design of novel ligands.EBI Bioorg Med Chem Lett 28: 2343-2352 (2018) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
29880399 17 1,2-Diphenoxiethane salts as potent antiplasmodial agents.EBI Bioorg Med Chem Lett 28: 2485-2489 (2018) Universidad de Granada 2D 3D TSV
29880250 84 Identification of novel thiazolo[5,4-d]pyrimidine derivatives as human AEBI Bioorg Med Chem 26: 3688-3695 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29879354 54 Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.EBI J Med Chem 61: 5580-5593 (2018) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
29878770 53 Discovery of Novel Pyrazole-Based Selective Aldosterone Synthase (CYP11B2) Inhibitors: A New Template to Coordinate the Heme-Iron Motif of CYP11B2.EBI J Med Chem 61: 5594-5608 (2018) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
29878768 6 Total Syntheses of Lobaric Acid and Its Derivatives from the Antarctic Lichen Stereocaulon alpinum.EBI J Nat Prod 81: 1460-1467 (2018) Korea Polar Research Institute 2D 3D TSV
29878767 21 Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology.EBI J Med Chem 61: 5758-5764 (2018) Goethe University Frankfurt 2D 3D TSV
29878763 27 Small Molecule Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitors: Hit to Lead Optimization of Systemic Agents.EBI J Med Chem 61: 5704-5718 (2018) Pfizer Inc 2D 3D TSV
29878759 19 Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.EBI J Med Chem 61: 9410-9428 (2018) Ghent University 2D 3D TSV
29877709 31 Structural Insights of Benzenesulfonamide Analogues as NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization.EBI J Med Chem 61: 5412-5423 (2018) TBA 2D 3D TSV
29873484 25 Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis.EBI J Med Chem 61: 9395-9409 (2018) University of Groningen 2D 3D TSV
29871847 26 Synthesis and anti-staphylococcal activity of novel bacterial topoisomerase inhibitors with a 5-amino-1,3-dioxane linker moiety.EBI Bioorg Med Chem Lett 28: 2477-2480 (2018) The Ohio State University 2D 3D TSV
29871845 125 Discovery and evaluation of 3,5-disubstituted indole derivatives as Pim kinase inhibitors.EBI Bioorg Med Chem Lett 28: 2513-2517 (2018) Keimyung University 2D 3D TSV
29870883 106 Synthesis and characterization of novel classes of PDE10A inhibitors - 1H-1,3-benzodiazoles and imidazo[1,2-a]pyrimidines.EBI Eur J Med Chem 155: 96-116 (2018) Celon Pharma S.A. 2D 3D TSV
29870665 2 Demonstration of In Vitro Resurrection of Aged Acetylcholinesterase after Exposure to Organophosphorus Chemical Nerve Agents.EBI J Med Chem 61: 7034-7042 (2018) The Ohio State University-Marion 2D 3D TSV
29870258 10 Protein Arginine Methyltransferase 5 (PRMT5) as an Anticancer Target and Its Inhibitor Discovery.EBI J Med Chem 61: 9429-9441 (2018) Sun Yat-Sen University 2D 3D TSV
29870245 39 Discovery of Novel Small-Molecule Inhibitors of NF-?B Signaling with Antiinflammatory and Anticancer Properties.EBI J Med Chem 61: 5881-5899 (2018) University of Colorado 2D 3D TSV
29869503 4 Dehydrodiconiferyl Alcohol Inhibits Osteoclast Differentiation and Ovariectomy-Induced Bone Loss through Acting as an Estrogen Receptor Agonist.EBI J Nat Prod 81: 1343-1356 (2018) Seoul National University 2D 3D TSV
29866517 19 Identification of quinone analogues as potential inhibitors of picornavirus 3C protease in vitro.EBI Bioorg Med Chem Lett 28: 2533-2538 (2018) Korea Research Institute of Chemical Technology 2D 3D TSV
29866481 22 Design, synthesis and biological evaluation of benzofuran appended benzothiazepine derivatives as inhibitors of butyrylcholinesterase and antimicrobial agents.EBI Bioorg Med Chem 26: 3076-3095 (2018) Alzahra University 2D 3D TSV
29866479 6 Synthesis, molecular modelling studies and biological evaluation of new oxoeicosanoid receptor 1 agonists.EBI Bioorg Med Chem 26: 3580-3587 (2018) Hospital del Mar Medical Research Institute (IMIM) 2D 3D TSV
29863360 11 Dual Leucine Zipper Kinase Inhibitors for the Treatment of Neurodegeneration.EBI J Med Chem 61: 8078-8087 (2018) Genentech 2D 3D TSV
29861142 3 Computer-aided discovery and biological characterization of human lactate dehydrogenase 5 inhibitors with anti-osteosarcoma activity.EBI Bioorg Med Chem Lett 28: 2229-2233 (2018) Capital Medical University 2D 3D TSV
29860841 140 ?-Arylidene Diacylglycerol-Lactones (DAG-Lactones) as Selective Ras Guanine-Releasing Protein 3 (RasGRP3) Ligands.EBI J Med Chem 61: 6261-6276 (2018) Seoul National University 2D 3D TSV
29859906 6 Structural basis for the selective inhibition of activated thrombin-activatable fibrinolysis inhibitor (TAFIa) by a selenium-containing inhibitor with chloro-aminopyridine as a basic group.EBI Bioorg Med Chem Lett 28: 2256-2260 (2018) Showa Pharmaceutical University 2D 3D TSV
29859750 56 Novel leucine ureido derivatives as aminopeptidase N inhibitors using click chemistry.EBI Bioorg Med Chem 26: 3145-3157 (2018) Shandong University 2D 3D TSV
29859505 17 Structure-based design and profiling of novel 17?-HSD14 inhibitors.EBI Eur J Med Chem 155: 61-76 (2018) Philipps University Marburg 2D 3D TSV
29858157 63 Cyclic biphalin analogues with a novel linker lead to potent agonist activities at mu, delta, and kappa opioid receptors.EBI Bioorg Med Chem 26: 3664-3667 (2018) University of Arizona 2D 3D TSV
29857276 53 Novel tetrahydrocarbazole benzyl pyridine hybrids as potent and selective butryl cholinesterase inhibitors with neuroprotective and ?-secretase inhibition activities.EBI Eur J Med Chem 155: 49-60 (2018) Tehran University of Medical Sciences 2D 3D TSV
29857275 50 Discovery of potent and novel smoothened antagonists via structure-based virtual screening and biological assays.EBI Eur J Med Chem 155: 34-48 (2018) Soochow University 2D 3D TSV
29856625 43 Examination of Diazaspiro Cores as Piperazine Bioisosteres in the Olaparib Framework Shows Reduced DNA Damage and Cytotoxicity.EBI J Med Chem 61: 5367-5379 (2018) University of Pennsylvania 2D 3D TSV
29856623 43 Click Chemistry-Based Discovery of [3-Hydroxy-5-(1 H-1,2,3-triazol-4-yl)picolinoyl]glycines as Orally Active Hypoxia-Inducing Factor Prolyl Hydroxylase Inhibitors with Favorable Safety Profiles for the Treatment of Anemia.EBI J Med Chem 61: 5332-5349 (2018) China Pharmaceutical University 2D 3D TSV
29856615 85 Discovery and Optimization of a Novel Series of Highly Selective JAK1 Kinase Inhibitors.EBI J Med Chem 61: 5235-5244 (2018) AstraZeneca 2D 3D TSV
29856609 40 Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.EBI J Med Chem 61: 6002-6017 (2018) Vanderbilt University 2D 3D TSV
29856219 11 Antitumorigenic Properties of Omega-3 Endocannabinoid Epoxides.EBI J Med Chem 61: 5569-5579 (2018) TBA 2D 3D TSV
29853341 4 The recent progress of isoxazole in medicinal chemistry.EBI Bioorg Med Chem 26: 3065-3075 (2018) China Pharmaceutical University 2D 3D TSV
29853340 39 Synthesis and biological evaluation of irreversible EGFR tyrosine kinase inhibitors containing pyrido[3,4-d]pyrimidine scaffold.EBI Bioorg Med Chem 26: 3619-3633 (2018) Xi'an Jiaotong University 2D 3D TSV
29853339 22 Rational design of bis-indolylmethane-oxadiazole hybrids as inhibitors of thymidine phosphorylase.EBI Bioorg Med Chem 26: 3654-3663 (2018) Imam Abdulrahman Bin Faisal University 2D 3D TSV
29853338 31 Design, synthesis and biological evaluation of pyrimidine derivatives as novel CDK2 inhibitors that induce apoptosis and cell cycle arrest in breast cancer cells.EBI Bioorg Med Chem 26: 3491-3501 (2018) Shihezi University 2D 3D TSV
29853337 11 Pyrroloquinoline scaffold-based 5-HTEBI Bioorg Med Chem 26: 3588-3595 (2018) Jagiellonian University Medical College 2D 3D TSV
29853332 50 Benzofuro[3,2-d]pyrimidines inspired from cercosporamide CaPkc1 inhibitor: Synthesis and evaluation of fluconazole susceptibility restoration.EBI Bioorg Med Chem Lett 28: 2250-2255 (2018) Universit£ de Nantes 2D 3D TSV
29853330 106 Chemical space screening around PheEBI Bioorg Med Chem Lett 28: 2320-2323 (2018) Vrije Universiteit Brussel 2D 3D TSV
29852328 22 Synthesis, characterization and biological evaluation of tertiary sulfonamide derivatives of pyridyl-indole based heteroaryl chalcone as potential carbonic anhydrase IX inhibitors and anticancer agents.EBI Eur J Med Chem 155: 13-23 (2018) Jamia Millia Islamia 2D 3D TSV
29852070 101 Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-? Inhibitors.EBI J Med Chem 61: 5435-5441 (2018) Pharmaron-Beijing Co., Ltd 2D 3D TSV
29852069 15 Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.EBI J Med Chem 61: 5138-5153 (2018) Kobe Gakuin University 2D 3D TSV
29852068 86 Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.EBI J Med Chem 61: 5350-5366 (2018) Eberhard Karls University T£bingen 2D 3D TSV
29851481 122 Discovery of ?-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.EBI J Med Chem 61: 5380-5394 (2018) University of Florence 2D 3D TSV
29847724 25 Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase? (PI3K?) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS).EBI J Med Chem 61: 5245-5256 (2018) Vertex Pharmaceuticals Inc 2D 3D TSV
29843102 15 Acylguanidine derivatives of zanamivir and oseltamivir: Potential orally available prodrugs against influenza viruses.EBI Eur J Med Chem 154: 314-323 (2018) National Taiwan University 2D 3D TSV
29812929 34 Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor.EBI J Med Chem 61: 8104-8119 (2018) Yale University 2D 3D TSV
29809004 50 Optimization of 1,4-Oxazine ?-Secretase 1 (BACE1) Inhibitors Toward a Clinical Candidate.EBI J Med Chem 61: 5292-5303 (2018) Janssen Pharmaceutica NV 2D 3D TSV
29808677 5 Jizanpeptins, Cyanobacterial Protease Inhibitors from a Symploca sp. Cyanobacterium Collected in the Red Sea.EBI J Nat Prod 81: 1417-1425 (2018) Oregon State University 2D 3D TSV
29807796 12 New TRAP1 and Hsp90 chaperone inhibitors with cationic components: Preliminary studies on mitochondrial targeting.EBI Bioorg Med Chem Lett 28: 2289-2293 (2018) University of Ferrara 2D 3D TSV
29807795 2 Piperlongumine derivative, CG-06, inhibits STAT3 activity by direct binding to STAT3 and regulating the reactive oxygen species in DU145 prostate carcinoma cells.EBI Bioorg Med Chem Lett 28: 2566-2572 (2018) Chungnam National University 2D 3D TSV
29807699 12 Design, synthesis and biological evaluation of phosphopeptides as Polo-like kinase 1 Polo-box domain inhibitors.EBI Bioorg Med Chem 26: 3429-3437 (2018) China Pharmaceutical University 2D 3D TSV
29807331 19 Discovery of novel small molecule TLR4 inhibitors as potent anti-inflammatory agents.EBI Eur J Med Chem 154: 253-266 (2018) School of Pharmaceutical Sciences 2D 3D TSV
29805075 28 Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepin-5-one-based novel chemotype CCR2 antagonists via scaffold hopping strategy.EBI Bioorg Med Chem 26: 3559-3572 (2018) Shanghai Institute of Materia Medica 2D 3D TSV
29805074 2 Elucidating the inhibition of peptidoglycan biosynthesis in Staphylococcus aureus by albocycline, a macrolactone isolated from Streptomyces maizeus.EBI Bioorg Med Chem 26: 3453-3460 (2018) University of Delaware 2D 3D TSV
29805055 40 Pyrrolinone derivatives as a new class of P2X3 receptor antagonists. Part 1: Initial structure-activity relationship studies of a hit from a high throughput screening.EBI Bioorg Med Chem Lett 28: 2338-2342 (2018) Shionogi & Co., Ltd 2D 3D TSV
29803996 141 SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.EBI Eur J Med Chem 154: 233-252 (2018) Stony Brook University 2D 3D TSV
29803994 56 Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.EBI Eur J Med Chem 154: 210-219 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29803731 68 Adamantyl thioureas as soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 28: 2302-2313 (2018) University of California Davis 2D 3D TSV
29803730 42 Design and synthesis of functionalized piperazin-1yl-(E)-stilbenes as inhibitors of 17?-hydroxylase-C17,20-lyase (Cyp17).EBI Bioorg Med Chem Lett 28: 2270-2274 (2018) Temple University School of Pharmacy 2D 3D TSV
29803359 13 Drug efficacy of novel 3-O-methoxy-4-halo disubstituted 5,7-dimethoxy chromans; evaluated via DNA gyrase inhibition, bacterial cell wall lesion and antibacterial prospective.EBI Bioorg Med Chem 26: 3438-3452 (2018) Bharathiar University 2D 3D TSV
29803003 8 Development of novel amino-quinoline-5,8-dione derivatives as NAD(P)H:quinone oxidoreductase 1 (NQO1) inhibitors with potent antiproliferative activities.EBI Eur J Med Chem 154: 199-209 (2018) Nantong University 2D 3D TSV
29801997 11 Structure-activity relationship of uridine-based nucleoside phosphoramidate prodrugs for inhibition of dengue virus RNA-dependent RNA polymerase.EBI Bioorg Med Chem Lett 28: 2324-2327 (2018) Novartis Institute for Tropical Diseases 2D 3D TSV
29799746 1 Discovery of Highly Potent Pinanamine-Based Inhibitors against Amantadine- and Oseltamivir-Resistant Influenza A Viruses.EBI J Med Chem 61: 5187-5198 (2018) School of Pharmaceutical Sciences & The Fifth Affiliated Hospital 2D 3D TSV
29798827 5 Isoxazole-tethered diarylheptanoid analogs: Discovery of a new drug-like PAR2 antagonist.EBI Bioorg Med Chem Lett 28: 2285-2288 (2018) Advinus Therapeutics Ltd 2D 3D TSV
29798825 29 Development of autotaxin inhibitors: A series of zinc binding triazoles.EBI Bioorg Med Chem Lett 28: 2279-2284 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29795768 33 Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.EBI ACS Med Chem Lett 9: 507-511 (2018) China Pharmaceutical University 2D 3D TSV
29795766 52 Synthesis and EBI ACS Med Chem Lett 9: 496-501 (2018) Vrije Universiteit Brussel 2D 3D TSV
29795765 32 Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.EBI ACS Med Chem Lett 9: 490-495 (2018) Novartis Pharma AG 2D 3D TSV
29795762 25 BMS-986163, a Negative Allosteric Modulator of GluN2B with Potential Utility in Major Depressive Disorder.EBI ACS Med Chem Lett 9: 472-477 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29795760 90 Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology.EBI ACS Med Chem Lett 9: 462-467 (2018) University of Florence 2D 3D TSV
29795759 36 Discovery of MK-8282 as a Potent G-Protein-Coupled Receptor 119 Agonist for the Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 9: 457-461 (2018) Merck & Co. 2D 3D TSV
29795757 100 Discovery of EBI ACS Med Chem Lett 9: 446-451 (2018) Emory University 2D 3D TSV
29795756 76 Discovery of Orally Bioavailable Selective Inhibitors of the Sodium-Phosphate Cotransporter NaPi2a (SLC34A1).EBI ACS Med Chem Lett 9: 440-445 (2018) Pfizer Inc. 2D 3D TSV
29795754 72 Phenotypic Screening To Discover Novel Chemical Series as Efficient Antihemorrhagic Agents.EBI ACS Med Chem Lett 9: 428-433 (2018) Universidad de Navarra 2D 3D TSV
29795753 81 SAR Studies of EBI ACS Med Chem Lett 9: 422-427 (2018) Chinese Academy of Sciences 2D 3D TSV
29795752 82 Aminoisoxazoles as Potent Inhibitors of Tryptophan 2,3-Dioxygenase 2 (TDO2).EBI ACS Med Chem Lett 9: 417-421 (2018) Genentech 2D 3D TSV
29795748 9 2,7-Diazaspiro[4,4]nonanes for the Treatment or Prevention of Cancers and Diabetes.EBI ACS Med Chem Lett 9: 401-402 (2018) Usona Institute 2D 3D TSV
29793752 21 A comparative study of non-native N-acyl l-homoserine lactone analogs in two Pseudomonas aeruginosa quorum sensing receptors that share a common native ligand yet inversely regulate virulence.EBI Bioorg Med Chem 26: 5336-5342 (2018) University of Wisconsin-Madison 2D 3D TSV
29793751 4 Design, synthesis and molecular modeling of new 4-phenylcoumarin derivatives as tubulin polymerization inhibitors targeting MCF-7 breast cancer cells.EBI Bioorg Med Chem 26: 3474-3490 (2018) National Research Centre 2D 3D TSV
29793210 91 Polypharmacological profile of 1,2-dihydro-2-oxo-pyridine-3-carboxamides in the endocannabinoid system.EBI Eur J Med Chem 154: 155-171 (2018) University of Bern 2D 3D TSV
29792714 32 Docking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson's Disease.EBI J Med Chem 61: 5269-5278 (2018) Uppsala University 2D 3D TSV
29792703 24 Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.EBI J Med Chem 61: 4946-4960 (2018) University of Kansas 2D 3D TSV
29792702 2 Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.EBI J Nat Prod 81: 1376-1383 (2018) Sun Yat-sen University 2D 3D TSV
29789207 16 Antidiabetic potential of phytochemicals isolated from the stem bark of Myristica fatua Houtt. var. magnifica (Bedd.) Sinclair.EBI Bioorg Med Chem 26: 3461-3467 (2018) CSIR-National Institute for Interdisciplinary Science and Technology 2D 3D TSV
29787914 7 Free radical rearrangement synthesis and microbiological evaluation of novel 2-sulfoether-4-quinolone scaffolds as potential antibacterial agents.EBI Eur J Med Chem 154: 144-154 (2018) Anhui Medical University 2D 3D TSV
29787262 64 Discovery of Novel Pazopanib-Based HDAC and VEGFR Dual Inhibitors Targeting Cancer Epigenetics and Angiogenesis Simultaneously.EBI J Med Chem 61: 5304-5322 (2018) Shandong University 2D 3D TSV
29784274 40 Chiral analogues of (+)-cyclazosin as potent?EBI Bioorg Med Chem 26: 3502-3513 (2018) Universit£ di Camerino 2D 3D TSV
29784271 1 Boronic acid inhibitors of the class A?-lactamase KPC-2.EBI Bioorg Med Chem 26: 2921-2927 (2018) UCL School of Pharmacy 2D 3D TSV
29782167 48 Potent and Highly Selective Inhibitors of the Proteasome Trypsin-like Site by Incorporation of Basic Side Chain Containing Amino Acid Derived Sulfonyl Fluorides.EBI J Med Chem 61: 5395-5411 (2018) University of Glasgow 2D 3D TSV
29779977 26 Synthesis and antiviral evaluation of novel peptidomimetics as norovirus protease inhibitors.EBI Bioorg Med Chem Lett 28: 2165-2170 (2018) Emory University 2D 3D TSV
29779976 55 The discovery and preclinical evaluation of BMS-707035, a potent HIV-1 integrase strand transfer inhibitor.EBI Bioorg Med Chem Lett 28: 2124-2130 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29779975 53 Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.EBI Bioorg Med Chem Lett 28: 2159-2164 (2018) Janssen Research and Development LLC 2D 3D TSV
29779669 12 Synthesis and profiling of benzylmorpholine 1,2,4,5-tetraoxane analogue N205: Towards tetraoxane scaffolds with potential for single dose cure of malaria.EBI Bioorg Med Chem 26: 2996-3005 (2018) University of Liverpool 2D 3D TSV
29779382 16 Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.EBI J Med Chem 61: 5664-5678 (2018) CSIR-National Chemical Laboratory 2D 3D TSV
29778894 30 New N-phenylpyrrolamide DNA gyrase B inhibitors: Optimization of efficacy and antibacterial activity.EBI Eur J Med Chem 154: 117-132 (2018) University of Ljubljana 2D 3D TSV
29778892 48 Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors.EBI Eur J Med Chem 154: 101-109 (2018) University of Tours 2D 3D TSV
29777988 2 Insight into structural requirements for selective and/or dual CXCR3 and CXCR4 allosteric modulators.EBI Eur J Med Chem 154: 68-90 (2018) University of Ljubljana 2D 3D TSV
29776834 58 BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.EBI Bioorg Med Chem 26: 2937-2957 (2018) University of Oxford 2D 3D TSV
29776832 25 An SAR study of hydroxy-trifluoromethylpyrazolines as inhibitors of Orai1-mediated store operated CaEBI Bioorg Med Chem 26: 3406-3413 (2018) University of Auckland 2D 3D TSV
29776742 55 Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11.EBI Bioorg Med Chem Lett 28: 2143-2147 (2018) FORMA Therapeutics 2D 3D TSV
29775937 52 Design, synthesis and biological evaluation of a series of novel 2-benzamide-4-(6-oxy-N-methyl-1-naphthamide)-pyridine derivatives as potent fibroblast growth factor receptor (FGFR) inhibitors.EBI Eur J Med Chem 154: 9-28 (2018) Chinese Academy of Sciences 2D 3D TSV
29775936 51 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4.EBI Eur J Med Chem 154: 44-59 (2018) Fudan University 2D 3D TSV
29775935 21 Design, synthesis, antiproliferative activity and docking studies of quinazoline derivatives bearing 2,3-dihydro-indole or 1,2,3,4-tetrahydroquinoline as potential EGFR inhibitors.EBI Eur J Med Chem 154: 29-43 (2018) Jiangxi Science & Technology Normal University 2D 3D TSV
29775538 47 Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine ?-Secretase (BACE1) Inhibitors via Active Conformation Stabilization.EBI J Med Chem 61: 5525-5546 (2018) TBA 2D 3D TSV
29775310 22 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.EBI J Med Chem 61: 4978-4992 (2018) Astex Pharmaceuticals 2D 3D TSV
29775308 1 Piperidine Alkaloids with Diverse Skeletons from Anacyclus pyrethrum.EBI J Nat Prod 81: 1474-1482 (2018) Chinese Academy of Sciences 2D 3D TSV
29775303 60 Simultaneous Targeting of RGD-Integrins and Dual Murine Double Minute Proteins in Glioblastoma Multiforme.EBI J Med Chem 61: 4791-4809 (2018) Universit£ degli Studi di Napoli "Federico II" 2D 3D TSV
29775297 7 Factor XIa Inhibitors as New Anticoagulants.EBI J Med Chem 61: 7425-7447 (2018) Bristol-Myers Squibb Company 2D 3D TSV
29775064 12 Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.EBI J Med Chem 61: 5279-5291 (2018) University of Liege 2D 3D TSV
29773504 13 Discovery of novel 20S proteasome inhibitors by rational topology-based scaffold hopping of bortezomib.EBI Bioorg Med Chem Lett 28: 2148-2152 (2018) Fudan University 2D 3D TSV
29773502 4 Design, synthesis and biological evaluation of novel pyrimidinedione derivatives as DPP-4 inhibitors.EBI Bioorg Med Chem Lett 28: 2131-2135 (2018) Chinese Academy of Sciences 2D 3D TSV
29771541 8 Plasmodial Kinase Inhibitors: License to Cure?EBI J Med Chem 61: 8061-8077 (2018) TBA 2D 3D TSV
29771525 4 NMR Biochemical Assay for Oxidosqualene Cyclase: Evaluation of Inhibitor Activities on Trypanosoma cruzi and Human Enzymes.EBI J Med Chem 61: 5047-5053 (2018) National Institute of Advanced Industrial Science and Technology (AIST) 2D 3D TSV
29767995 34 Structure-Activity Relationships and Therapeutic Potentials of 5-HTEBI J Med Chem 61: 8475-8503 (2018) Universit£ di Catania 2D 3D TSV
29767973 260 Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity.EBI J Med Chem 61: 4883-4903 (2018) National Center for Advancing Translational Sciences 2D 3D TSV
29767967 74 Structure-Guided Modification of Heterocyclic Antagonists of the P2YEBI J Med Chem 61: 4860-4882 (2018) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
29764757 72 Synthesis and profiling of a 3-aminopyridin-2-one-based kinase targeted fragment library: Identification of 3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one scaffold for monopolar spindle 1 (MPS1) and Aurora kinases inhibition.EBI Bioorg Med Chem 26: 3021-3029 (2018) The Institute of Cancer Research 2D 3D TSV
29764756 17 Straightforward hit identification approach in fragment-based discovery of bromodomain-containing protein 4 (BRD4) inhibitors.EBI Bioorg Med Chem 26: 3399-3405 (2018) Bienta/Enamine Ltd. 2D 3D TSV
29764755 85 Investigations on small molecule inhibitors targeting the histone H3K4 tri-methyllysine binding PHD-finger of JmjC histone demethylases.EBI Bioorg Med Chem 26: 2984-2991 (2018) University of Oxford 2D 3D TSV
29764742 6 Synthesis and biological evaluation of 6-hydroxyl C-aryl glucoside derivatives as novel sodium glucose co-transporter 2 (SGLT2) inhibitors.EBI Bioorg Med Chem Lett 28: 2201-2205 (2018) Shandong University 2D 3D TSV
29764741 46 Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors.EBI Bioorg Med Chem Lett 28: 2195-2200 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29763808 57 Design, synthesis and evaluation of novel multi-target-directed ligands for treatment of Alzheimer's disease based on coumarin and lipoic acid scaffolds.EBI Eur J Med Chem 152: 600-614 (2018) Tehran University of Medical Sciences 2D 3D TSV
29763304 60 Synthesis, Structure-Activity Relationships, and Preclinical Evaluation of Heteroaromatic Amides and 1,3,4-Oxadiazole Derivatives as 5-HTEBI J Med Chem 61: 4993-5008 (2018) Suven Life Sciences Limited 2D 3D TSV
29763303 13 Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.EBI J Med Chem 61: 4561-4577 (2018) Purdue University 2D 3D TSV
29762033 1 Isolation, Synthesis, and Antisepsis Effects of a C-Methylcoumarinochromone Isolated from Abronia nana Cell Culture.EBI J Nat Prod 81: 1173-1182 (2018) Kyungpook National University 2D 3D TSV
29759799 74 Novel non-ATP competitive small molecules targeting the CK2 ?/? interface.EBI Bioorg Med Chem 26: 3016-3020 (2018) University of Cambridge 2D 3D TSV
29759726 50 N-aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity.EBI Bioorg Med Chem Lett 28: 2153-2158 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29758518 47 Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.EBI Eur J Med Chem 152: 542-559 (2018) Chinese Academy of Sciences 2D 3D TSV
29754948 69 The discovery of VU0486846: steep SAR from a series of MEBI Bioorg Med Chem Lett 28: 2175-2179 (2018) Vanderbilt University Medical Center 2D 3D TSV
29754833 73 Discovery of benzimidazole derivatives as orally active renin inhibitors: Optimization of 3,5-disubstituted piperidine to improve pharmacokinetic profile.EBI Bioorg Med Chem 26: 3261-3286 (2018) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
29754074 2 Structure-activity relationship of new antimalarial 1-aryl-3-susbtituted propanol derivatives: Synthesis, preliminary toxicity profiling, parasite life cycle stage studies, target exploration, and targeted delivery.EBI Eur J Med Chem 152: 489-514 (2018) Universidad de Navarra 2D 3D TSV
29753566 19 Design and synthesis of 2,6-disubstituted-8-amino imidazo[1,2a]pyridines, a promising privileged structure.EBI Bioorg Med Chem 26: 3296-3307 (2018) Universities of Lille 2D 3D TSV
29752185 1 Brain penetrant kinase inhibitors: Learning from kinase neuroscience discovery.EBI Bioorg Med Chem Lett 28: 1981-1991 (2018) Eli Lilly and Company 2D 3D TSV
29752182 52 Discovery of a bicyclo[4.3.0]nonane derivative DS88790512 as a potent, selective, and orally bioavailable blocker of transient receptor potential canonical 6 (TRPC6).EBI Bioorg Med Chem Lett 28: 2222-2227 (2018) Daiichi Sankyo Co., Ltd 2D 3D TSV
29751236 46 Synthesis and biological evaluation of ?EBI Eur J Med Chem 152: 424-435 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29751234 94 Pyridinyl- and pyridazinyl-3,6-diazabicyclo[3.1.1]heptane-anilines: Novel selective ligands with subnanomolar affinity for ?EBI Eur J Med Chem 152: 401-416 (2018) Istituto di Chimica Biomolecolare 2D 3D TSV
29751233 2 New developments in non-quinolone-based antibiotics for the inhibiton of bacterial gyrase and topoisomerase IV.EBI Eur J Med Chem 152: 393-400 (2018) Islamia College University 2D 3D TSV
29750408 16 Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases.EBI J Med Chem 61: 8088-8103 (2018) University of Copenhagen 2D 3D TSV
29748145 15 Design, synthesis and evaluation of benzoheterocycle analogues as potent antifungal agents targeting CYP51.EBI Bioorg Med Chem 26: 3242-3253 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29748053 87 Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14.EBI Bioorg Med Chem Lett 28: 2050-2054 (2018) McDaniel College 2D 3D TSV
29748051 24 Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.EBI Bioorg Med Chem Lett 28: 2029-2034 (2018) Merck & Co. 2D 3D TSV
29748050 26 Discovery of (E)-1-amino-4-phenylbut-3-en-2-ol derivatives as novel neuraminidase inhibitors.EBI Bioorg Med Chem Lett 28: 2003-2007 (2018) Shanghai Institute of Technology 2D 3D TSV
29748048 3 Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold.EBI Bioorg Med Chem Lett 28: 2084-2090 (2018) West China Hospital 2D 3D TSV
29746776 14 From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical Candidate.EBI J Med Chem 61: 4851-4859 (2018) Heidelberg University 2D 3D TSV
29746130 100 Expanding Benzoxazole-Based Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitor Structure-Activity As Potential Antituberculosis Agents.EBI J Med Chem 61: 4739-4756 (2018) National Institute of Allergy and Infectious Diseases 2D 3D TSV
29746127 195 Discovery of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Management of Rheumatoid Arthritis.EBI J Med Chem 61: 4961-4977 (2018) Ege University Bornova 2D 3D TSV
29741897 62 Novel Pyrrolidine Derivatives of Budesonide as Long Acting Inhaled Corticosteroids for the Treatment of Pulmonary Inflammatory Diseases.EBI J Med Chem 61: 4757-4773 (2018) TBA 2D 3D TSV
29741894 3 Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.EBI J Med Chem 61: 4938-4945 (2018) University of Oxford 2D 3D TSV
29741882 25 Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.EBI J Med Chem 61: 4517-4527 (2018) University of Toronto 2D 3D TSV
29738955 8 Lactam hybrid analogues of solonamide B and autoinducing peptides as potent S.áaureus AgrC antagonists.EBI Eur J Med Chem 152: 370-376 (2018) University of Copenhagen 2D 3D TSV
29738953 34 Design and biological evaluation of tetrahydro-?-carboline derivatives as highly potent histone deacetylase 6 (HDAC6) inhibitors.EBI Eur J Med Chem 152: 329-357 (2018) University of Regensburg 2D 3D TSV
29738674 31 Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.EBI J Med Chem 61: 4832-4850 (2018) University of Michigan 2D 3D TSV
29737846 70 Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNaEBI J Med Chem 61: 4810-4831 (2018) Xenon Pharmaceuticals, Inc. 2D 3D TSV
29735425 45 Discovery of tetrahydroindazoles as a novel class of potent and in vivo efficacious gamma secretase modulators.EBI Bioorg Med Chem 26: 3227-3241 (2018) Boehringer Ingelheim Pharma GmbH & Co. KG 2D 3D TSV
29733645 12 Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.EBI J Med Chem 61: 4928-4937 (2018) University of Santiago de Compostela 2D 3D TSV
29733614 47 Rational Design of Novel 1,3-Oxazine Based ?-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A? Reduction in the Brain.EBI J Med Chem 61: 5122-5137 (2018) TBA 2D 3D TSV
29733583 16 Molecular Determinants Conferring the Stoichiometric-Dependent Activity of ?-Conotoxins at the Human ?9?10 Nicotinic Acetylcholine Receptor Subtype.EBI J Med Chem 61: 4628-4634 (2018) Ocean University of China 2D 3D TSV
29731364 20 Covalent inhibitors of nicotinamide N-methyltransferase (NNMT) provide evidence for target engagement challenges in situ.EBI Bioorg Med Chem Lett 28: 2682-2687 (2018) The Scripps Research Institute 2D 3D TSV
29731362 93 Discovery and optimization of aspartate aminotransferase 1 inhibitors to target redox balance in pancreatic ductal adenocarcinoma.EBI Bioorg Med Chem Lett 28: 2675-2678 (2018) California Institute for Biomedical Research 2D 3D TSV
29730192 28 Discovery of novel 2,4-diarylaminopyrimidine derivatives as potent and selective epidermal growth factor receptor (EGFR) inhibitors against L858R/T790M resistance mutation.EBI Eur J Med Chem 152: 298-306 (2018) Fudan University 2D 3D TSV
29730189 21 Design, synthesis and biological evaluation of benzo[cd]indol-2(1H)-ones derivatives as BRD4 inhibitors.EBI Eur J Med Chem 152: 264-273 (2018) Hebei University 2D 3D TSV
29730188 10 Discovery of new erbB4 inhibitors: Repositioning an orphan chemical library by inverse virtual screening.EBI Eur J Med Chem 152: 253-263 (2018) University of Salerno 2D 3D TSV
29730027 99 Synthesis and activity of di- or trisubstituted N-(phenoxyalkyl)- or N-{2-[2-(phenoxy)ethoxy]ethyl}piperazine derivatives on the central nervous system.EBI Bioorg Med Chem Lett 28: 2039-2049 (2018) Jagiellonian University Medical College 2D 3D TSV
29729987 66 Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment.EBI Bioorg Med Chem 26: 3117-3125 (2018) East China University of Science and Technology 2D 3D TSV
29729985 13 Novel 8-hydroxyquinoline derivatives targeting ?-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease.EBI Bioorg Med Chem 26: 3191-3201 (2018) Pharmaceutical University 2D 3D TSV
29727569 51 Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.EBI J Med Chem 61: 5162-5186 (2018) University of Michigan 2D 3D TSV
29727562 14 N-(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide (TAK632) Promotes Inhibition of BRAF through the Induction of Inhibited Dimers.EBI J Med Chem 61: 5034-5046 (2018) University of Pennsylvania 2D 3D TSV
29727185 2 Discovery and Optimization of Indolyl-Containing 4-Hydroxy-2-Pyridone Type II DNA Topoisomerase Inhibitors Active against Multidrug Resistant Gram-negative Bacteria.EBI J Med Chem 61: 4456-4475 (2018) PTC Therapeutics, Inc. 2D 3D TSV
29727184 56 Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.EBI J Med Chem 61: 4421-4435 (2018) Universit£ di Pisa 2D 3D TSV
29724589 40 Discovery of evocalcet, a next-generation calcium-sensing receptor agonist for the treatment of hyperparathyroidism.EBI Bioorg Med Chem Lett 28: 2055-2060 (2018) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
29723786 9 Design, synthesis and biological activities of 2,3-dihydroquinazolin-4(1H)-one derivatives as TRPM2 inhibitors.EBI Eur J Med Chem 152: 235-252 (2018) Peking University 2D 3D TSV
29723785 28 Synthesis and biological activity of novel tert-butyl and tert-pentylphenoxyalkyl piperazine derivatives as histamine HEBI Eur J Med Chem 152: 223-234 (2018) Jagiellonian University Medical College 2D 3D TSV
29722529 15 Targeting Transient Receptor Potential Vanilloid 1 (TRPV1) Channel Softly: The Discovery of Passerini Adducts as a Topical Treatment for Inflammatory Skin Disorders.EBI J Med Chem 61: 4436-4455 (2018) Universit£ del Piemonte Orientale 2D 3D TSV
29718668 27 Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.EBI J Med Chem 61: 4635-4640 (2018) Pfizer Inc 2D 3D TSV
29718665 2 Emerging Approaches for the Identification of Protein Targets of Small Molecules - A Practitioners' Perspective.EBI J Med Chem 61: 8504-8535 (2018) AbbVie Inc. 2D 3D TSV
29716781 28 Harnessing biosynthesis and quantitative NMR for late stage functionalization of lead molecules: Application to the M1 positive allosteric modulator (PAM) program.EBI Bioorg Med Chem Lett 28: 2068-2073 (2018) Pfizer Inc. 2D 3D TSV
29715023 56 Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.EBI J Med Chem 61: 4608-4627 (2018) China Pharmaceutical University 2D 3D TSV
29712435 43 Prolyl Hydroxylase Inhibitors: A Breakthrough in the Therapy of Anemia Associated with Chronic Diseases.EBI J Med Chem 61: 6964-6982 (2018) Cadila Healthcare Limited 2D 3D TSV
29712428 5 NAD(P)H:Quinone Oxidoreductase 1 (NQO1) as a Therapeutic and Diagnostic Target in Cancer.EBI J Med Chem 61: 6983-7003 (2018) China Pharmaceutical University 2D 3D TSV
29709786 18 Discovery of coumarin-dihydroquinazolinone analogs as niacin receptor 1 agonist with in-vivo anti-obesity efficacy.EBI Eur J Med Chem 152: 208-222 (2018) CSIR-Central Drug Research Institute 2D 3D TSV
29709253 30 2-Methylacrylamide as a bioisoster of thiourea group for 1,3-dibenzylthioureido TRPV1 receptor antagonists.EBI Bioorg Med Chem Lett 28: 2080-2083 (2018) Sookmyung Women's University 2D 3D TSV
29709252 31 1,2,4-Triazolsulfone: A novel isosteric replacement of acylsulfonamides in the context of NaEBI Bioorg Med Chem Lett 28: 2103-2108 (2018) Amgen Inc 2D 3D TSV
29708744 27 Positive Modulators of the N-Methyl-d-aspartate Receptor: Structure-Activity Relationship Study of Steroidal 3-Hemiesters.EBI J Med Chem 61: 4505-4516 (2018) Institute of Physiology of the Czech Academy of Sciences 2D 3D TSV
29706529 22 Design, synthesis and cardiovascular evaluation of some aminoisopropanoloxy derivatives of xanthone.EBI Bioorg Med Chem 26: 3773-3784 (2018) Jagiellonian University Medical College 2D 3D TSV
29706527 5 Screening serine/threonine and tyrosine kinase inhibitors for histidine kinase inhibition.EBI Bioorg Med Chem 26: 5322-5326 (2018) Indiana University 2D 3D TSV
29706526 1 Synthesis, antimycobacterial activity and influence on mycobacterial InhA and PknB of 12-membered cyclodepsipeptides.EBI Bioorg Med Chem 26: 3166-3190 (2018) Martin-Luther-Universit£t Halle-Wittenberg 2D 3D TSV
29706525 13 Structure-activity relationship of clovamide and its related compounds for the inhibition of amyloid? aggregation.EBI Bioorg Med Chem 26: 3202-3209 (2018) University of Tsukuba 2D 3D TSV
29706423 84 Structure-based design of Trifarotene (CD5789), a potent and selective RAR? agonist for the treatment of acne.EBI Bioorg Med Chem Lett 28: 1736-1741 (2018) Nestle Skin Health 2D 3D TSV
29706422 5 Design, synthesis and evaluation of substituted piperidine based KCNQ openers as novel antiepileptic agents.EBI Bioorg Med Chem Lett 28: 1731-1735 (2018) Nanjing University of Technology 2D 3D TSV
29705709 45 Design, synthesis and structure-activity relationship studies of GPR40 agonists containing amide linker.EBI Eur J Med Chem 152: 175-194 (2018) Chinese Academy of Sciences 2D 3D TSV
29705708 19 Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.EBI Eur J Med Chem 152: 160-174 (2018) Universitat Aut£noma de Barcelona 2D 3D TSV
29705377 28 Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors.EBI Bioorg Med Chem 26: 3133-3144 (2018) Seoul National University 2D 3D TSV
29705376 12 Synthesis and biological evaluation of 2,4-disubstituted phthalazinones as Aurora kinase inhibitors.EBI Bioorg Med Chem 26: 3217-3226 (2018) Lanzhou University 2D 3D TSV
29705142 58 Discovery of 6-(pyrimidin-5-ylmethyl)quinoline-8-carboxamide negative allosteric modulators of metabotropic glutamate receptor subtype 5.EBI Bioorg Med Chem Lett 28: 1679-1685 (2018) Vanderbilt University 2D 3D TSV
29705141 20 Kr÷hnke pyridines: Rapid and facile access to Mcl-1 inhibitors.EBI Bioorg Med Chem Lett 28: 1949-1953 (2018) University of Maryland 2D 3D TSV
29704723 44 Identification of novel ?-lactams and pyrrolidinone derivatives as selective Histamine-3 receptor (H3R) modulators as possible anti-obesity agents.EBI Eur J Med Chem 152: 148-159 (2018) CSIR-Central Drug Research Institute 2D 3D TSV
29704722 11 Substituted 1,5-naphthyridine derivatives as novel antileishmanial agents. Synthesis and biological evaluation.EBI Eur J Med Chem 152: 137-147 (2018) Universidad de Le£n 2D 3D TSV
29702446 25 Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.EBI Eur J Med Chem 152: 101-114 (2018) University of Southampton 2D 3D TSV
29701962 83 Design, Synthesis, and Testing of Potent, Selective Hepsin Inhibitors via Application of an Automated Closed-Loop Optimization Platform.EBI J Med Chem 61: 4335-4347 (2018) University of Helsinki 2D 3D TSV
29701469 52 Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.EBI J Med Chem 61: 4397-4411 (2018) University of Vienna 2D 3D TSV
29699925 5 Discovery of d-amino acid oxidase inhibitors based on virtual screening against the lid-open enzyme conformation.EBI Bioorg Med Chem Lett 28: 1693-1698 (2018) Hungarian Academy of Sciences 2D 3D TSV
29699923 47 Discovery of dimethyl pent-4-ynoic acid derivatives, as potent and orally bioavailable DGAT1 inhibitors that suppress body weight in diet-induced mouse obesity model.EBI Bioorg Med Chem Lett 28: 1686-1692 (2018) WuXi AppTec (Shanghai) Co. Ltd 2D 3D TSV
29699911 2 Novel amidrazone derivatives: Design, synthesis and activity evaluation.EBI Bioorg Med Chem 26: 3158-3165 (2018) Anhui Medical University 2D 3D TSV
29698859 30 Design, synthesis and pharmacological evaluation of ALK and Hsp90 dual inhibitors bearing resorcinol and 2,4-diaminopyrimidine motifs.EBI Eur J Med Chem 152: 76-86 (2018) Chinese Academy of Sciences 2D 3D TSV
29694039 54 Structure-Guided Design, Synthesis, and Characterization of Next-Generation Meprin ? Inhibitors.EBI J Med Chem 61: 4578-4592 (2018) Fraunhofer Institute for Cell Therapy and Immunology IZI 2D 3D TSV
29693401 3 Coupling of an Acyl Migration Prodrug Strategy with Bio-activation To Improve Oral Delivery of the HIV-1 Protease Inhibitor Atazanavir.EBI J Med Chem 61: 4176-4188 (2018) TBA 2D 3D TSV
29693393 5 The Notch Inhibitors Isolated from Nerium indicum.EBI J Nat Prod 81: 1235-1240 (2018) Chiba University 2D 3D TSV
29691154 14 Inhibitors of dihydrofolate reductase as antitumor agents: design, synthesis and biological evaluation of a series of novel nonclassical 6-substituted pyrido[3,2-d]pyrimidines with a three- to five-carbon bridge.EBI Bioorg Med Chem 26: 2674-2685 (2018) Perking University 2D 3D TSV
29691153 40 Targeting species specific amino acid residues: Design, synthesis and biological evaluation of 6-substituted pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors and potential anti-opportunistic infection agents.EBI Bioorg Med Chem 26: 2640-2650 (2018) Duquesne University 2D 3D TSV
29691139 21 Development of piperazine-based hydroxamic acid inhibitors against falcilysin, an essential malarial protease.EBI Bioorg Med Chem Lett 28: 1846-1848 (2018) California State University 2D 3D TSV
29691138 12 Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.EBI Bioorg Med Chem Lett 28: 1708-1713 (2018) AbbVie Inc. 2D 3D TSV
29689475 27 Identification of novel 2-benzyl-1-indanone analogs as interleukin-5 inhibitors.EBI Eur J Med Chem 152: 65-75 (2018) Chungnam National University 2D 3D TSV
29689474 32 Discovery of N-{3-[(ethanimidoylamino)methyl]benzyl}-l-prolinamide dihydrochloride: A new potent and selective inhibitor of the inducible nitric oxide synthase as a promising agent for the therapy of malignant glioma.EBI Eur J Med Chem 152: 53-64 (2018) University of Chieti "G. d'Annunzio" 2D 3D TSV
29688015 67 Blocking Alcoholic Steatosis in Mice with a Peripherally Restricted Purine Antagonist of the Type 1 Cannabinoid Receptor.EBI J Med Chem 61: 4370-4385 (2018) RTI International 2D 3D TSV
29688013 81 Fragment-Based Drug Discovery of Potent Protein Kinase C Iota Inhibitors.EBI J Med Chem 61: 4386-4396 (2018) Agency for Science, Technology and Research (A*STAR) 2D 3D TSV
29685684 20 Characterization of Protease-Activated Receptor (PAR) ligands: Parmodulins are reversible allosteric inhibitors of PAR1-driven calcium mobilization in endothelial cells.EBI Bioorg Med Chem 26: 2514-2529 (2018) Marquette University 2D 3D TSV
29685656 8 Synthesis, structure and bioactivity of primary sulfamate-containing natural products.EBI Bioorg Med Chem Lett 28: 3009-3013 (2018) Griffith University 2D 3D TSV
29684895 28 Design, synthesis and biological evaluation of novel xanthine oxidase inhibitors bearing a 2-arylbenzo[b]furan scaffold.EBI Eur J Med Chem 151: 849-860 (2018) China Pharmaceutical University 2D 3D TSV
29684894 10 Synthesis and biological evaluation of 2,6-disubstituted-9H-purine, 2,4-disubstitued-thieno[3,2-d]pyrimidine and -7H-pyrrolo[2,3-d]pyrimidine analogues as novel CHK1 inhibitors.EBI Eur J Med Chem 151: 836-848 (2018) Peking University 2D 3D TSV
29684705 72 Dual-tail arylsulfone-based benzenesulfonamides differently match the hydrophobic and hydrophilic halves of human carbonic anhydrases active sites: Selective inhibitors for the tumor-associated hCA IX isoform.EBI Eur J Med Chem 152: 1-9 (2018) Egyptian Russian University 2D 3D TSV
29683667 93 Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia.EBI J Med Chem 61: 4348-4369 (2018) Agency for Science, Technology and Research (A*STAR) 2D 3D TSV
29683659 127 The Identification of Potent, Selective, and Orally Available Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase: The Discovery of AZD0156 (8-{6-[3-(Dimethylamino)propoxy]pyridin-3-yl}-3-methyl-1-(tetrahydro-2 H-pyran-4-yl)-1,3-dihydro-2 H-imidazo[4,5- c]quinolin-2-one).EBI J Med Chem 61: 3823-3841 (2018) AstraZeneca 2D 3D TSV
29681486 33 Novel naphthyloxy derivatives - Potent histamine HEBI Bioorg Med Chem 26: 2573-2585 (2018) Jagiellonian University Medical College 2D 3D TSV
29681484 16 Design, synthesis, and structure-activity relationships of novel imidazo[4,5-c]pyridine derivatives as potent non-nucleoside inhibitors of hepatitis C virus NS5B.EBI Bioorg Med Chem 26: 2621-2631 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29681433 5 Discovery of novel 2-[(4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbonyl)amino]acetic acid derivatives as HIF prolyl hydroxylase inhibitors for treatment of renal anemia.EBI Bioorg Med Chem Lett 28: 1725-1730 (2018) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
29681156 71 Fluorescent-Labeled Selective Adenosine AEBI J Med Chem 61: 4301-4316 (2018) University of Bonn 2D 3D TSV
29681152 6 Highly Selective and Potent Ectonucleotide Pyrophosphatase-1 (NPP1) Inhibitors Based on Uridine 5'-PEBI J Med Chem 61: 3939-3951 (2018) Bar-Ilan University 2D 3D TSV
29679901 74 Replacement of Arg with Nle and modified D-Phe in the core sequence of MSHs, Ac-His-D-Phe-Arg-Trp-NHEBI Eur J Med Chem 151: 815-823 (2018) University of Arizona 2D 3D TSV
29679900 36 Structural insights into serotonin receptor ligands polypharmacology.EBI Eur J Med Chem 151: 797-814 (2018) Polish Academy of Sciences 2D 3D TSV
29678535 18 Design, synthesis, molecular modelling and in vitro cytotoxicity analysis of novel carbamate derivatives as inhibitors of Monoacylglycerol lipase.EBI Bioorg Med Chem 26: 2561-2572 (2018) Universit£ degli Studi di Milano 2D 3D TSV
29678462 7 Preliminary in vitro and in vivo investigation of a potent platelet derived growth factor receptor (PDGFR) family kinase inhibitor.EBI Bioorg Med Chem Lett 28: 1781-1784 (2018) University of the Pacific 2D 3D TSV
29678460 71 Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors.EBI Bioorg Med Chem Lett 28: 1804-1810 (2018) AbbVie Inc. 2D 3D TSV
29677635 121 Synthesis and structure-activity relationship of furoquinolinediones as inhibitors of Tyrosyl-DNA phosphodiesterase 2 (TDP2).EBI Eur J Med Chem 151: 777-796 (2018) Sun Yat-sen University 2D 3D TSV
29676580 3 Identification of Lycopodium Alkaloids Produced by an Ultraviolet-Irradiated Strain of Paraboeremia, an Endophytic Fungus from Lycopodium serratum var. longipetiolatum.EBI J Nat Prod 81: 1143-1147 (2018) Nagoya City University 2D 3D TSV
29674295 4 Harnessing pyrrolidine iminosugars into dimeric structures for the rapid discovery of divalent glycosidase inhibitors.EBI Eur J Med Chem 151: 765-776 (2018) University of Seville 2D 3D TSV
29673717 8 Novel fatty acid chain modified GLP-1 derivatives with prolonged in vivo glucose-lowering ability and balanced glucoregulatory activity.EBI Bioorg Med Chem 26: 2599-2609 (2018) China Pharmaceutical University 2D 3D TSV
29673715 4 Optimized allosteric inhibition of engineered protein tyrosine phosphatases with an expanded palette of biarsenical small molecules.EBI Bioorg Med Chem 26: 2610-2620 (2018) Amherst College 2D 3D TSV
29673714 2 Discovery and evaluation of nNaEBI Bioorg Med Chem 26: 2428-2436 (2018) University of Alabama at Birmingham 2D 3D TSV
29672049 63 Discovery of NEBI J Med Chem 61: 3855-3869 (2018) Palack£ University 2D 3D TSV
29672041 52 Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.EBI J Med Chem 61: 3870-3888 (2018) Vrije Universiteit Amsterdam 2D 3D TSV
29671588 35 Absolute Configuration and Pharmacology of the Poison Frog Alkaloid Phantasmidine.EBI J Nat Prod 81: 1029-1035 (2018) Indiana State University 2D 3D TSV
29670707 6 Modulating ADME Properties by Fluorination: MK2 Inhibitors with Improved Oral Exposure.EBI ACS Med Chem Lett 9: 392-396 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29670706 6 Conformationally Constrained Cinnolinone Nucleoside Analogues as Siderophore Biosynthesis Inhibitors for Tuberculosis.EBI ACS Med Chem Lett 9: 386-391 (2018) University of Minnesota 2D 3D TSV
29670703 83 Further Exploring Solvent-Exposed Tolerant Regions of Allosteric Binding Pocket for Novel HIV-1 NNRTIs Discovery.EBI ACS Med Chem Lett 9: 370-375 (2018) Shandong University 2D 3D TSV
29670700 1 Discovery of EBI ACS Med Chem Lett 9: 354-358 (2018) Cytokinetics, Inc. 2D 3D TSV
29670698 1 A BODIPY-Tagged Phosphono Peptide as Activity-Based Probe for Human Leukocyte Elastase.EBI ACS Med Chem Lett 9: 345-350 (2018) University of Bonn 2D 3D TSV
29670696 24 Discovery of Novel Diarylpyrimidine Derivatives as Potent HIV-1 NNRTIs Targeting the "NNRTI Adjacent" Binding Site.EBI ACS Med Chem Lett 9: 334-338 (2018) Shandong University 2D 3D TSV
29670693 3 Manumycin A Is a Potent Inhibitor of Mammalian Thioredoxin Reductase-1 (TrxR-1).EBI ACS Med Chem Lett 9: 318-322 (2018) Florida International University 2D 3D TSV
29670692 29 Discovery of Novel Indoleamine 2,3-Dioxygenase 1 (IDO1) and Histone Deacetylase (HDAC) Dual Inhibitors.EBI ACS Med Chem Lett 9: 312-317 (2018) East China University of Science and Technology 2D 3D TSV
29670690 39 Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers.EBI ACS Med Chem Lett 9: 300-305 (2018) Agios Pharmaceuticals Inc. 2D 3D TSV
29670688 12 Toll-like Receptors for the Treatment of Autoimmune, Inflammation, and Infectious Diseases.EBI ACS Med Chem Lett 9: 296-297 (2018) Usona Institute 2D 3D TSV
29670687 8 Therapeutic Potential of FXR Agonists in the Treatment of Multiple Diseases.EBI ACS Med Chem Lett 9: 294-295 (2018) Therachem Research Medilab LLC 2D 3D TSV
29670686 16 ATR Inhibitors as Potential Treatment for Cancers.EBI ACS Med Chem Lett 9: 292-293 (2018) Therachem Research Medilab LLC 2D 3D TSV
29670685 10 Azabicyclic Fused Pyrimidine Derivatives Useful for the Treatment of Alzheimer's Disease.EBI ACS Med Chem Lett 9: 290-291 (2018) Temple University School of Pharmacy 2D 3D TSV
29669694 13 Discovery of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents.EBI Bioorg Med Chem 26: 2452-2465 (2018) Takeda Pharmaceutical Company Limited 2D 3D TSV
29667825 5 Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.EBI J Med Chem 61: 4165-4175 (2018) TBA 2D 3D TSV
29667821 3 Antibacterial Dimeric Acylphloroglucinols from Hypericum japonicum.EBI J Nat Prod 81: 1098-1102 (2018) Chinese Academy of Sciences 2D 3D TSV
29665527 14 Discovery of 1,8-acridinedione derivatives as novel GCN5 inhibitors via high throughput screening.EBI Eur J Med Chem 151: 740-751 (2018) Shanghai University 2D 3D TSV
29664627 46 NEBI J Med Chem 61: 4528-4560 (2018) Helmholtz-Zentrum Dresden-Rossendorf 2D 3D TSV
29661622 5 Rational design and screening of peptide-based inhibitors of heat shock factor 1 (HSF1).EBI Bioorg Med Chem 26: 5299-5306 (2018) University of California at San Francisco 2D 3D TSV
29661533 7 Design, synthesis, and evaluation of novel N-1 fluoroquinolone derivatives: Probing for binding contact with the active site tyrosine of gyrase.EBI Bioorg Med Chem Lett 28: 1903-1910 (2018) University of Iowa 2D 3D TSV
29660984 6 Chemically Induced Degradation of Anaplastic Lymphoma Kinase (ALK).EBI J Med Chem 61: 4249-4255 (2018) Harvard Medical School 2D 3D TSV
29660981 122 Development of Macrocyclic Peptidomimetics Containing Constrained ?,?-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.EBI J Med Chem 61: 4263-4269 (2018) University of Naples "Federico II" 2D 3D TSV
29657102 19 Agonists of the ?-aminobutyric acid type B (GABAEBI Bioorg Med Chem Lett 28: 2697-2700 (2018) University of Mississippi 2D 3D TSV
29657099 55 Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.EBI Bioorg Med Chem Lett 28: 1811-1816 (2018) Celgene Quanticel Research 2D 3D TSV
29656989 7 Substituent effect of N-benzylated gramine derivatives that prevent the PP2A inhibition and dissipate the neuronal CaEBI Bioorg Med Chem 26: 2551-2560 (2018) Universidad Aut£noma de Madrid 2D 3D TSV
29656650 151 Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.EBI J Med Chem 61: 4317-4334 (2018) University of Strathclyde 2D 3D TSV
29656199 148 Investigating isoindoline, tetrahydroisoquinoline, and tetrahydrobenzazepine scaffolds for their sigma receptor binding properties.EBI Eur J Med Chem 151: 557-567 (2018) University of Texas at Austin 2D 3D TSV
29656197 62 Design and synthesis of BPR1K653 derivatives targeting the back pocket of Aurora kinases for selective isoform inhibition.EBI Eur J Med Chem 151: 533-545 (2018) National Health Research Institutes 2D 3D TSV
29655980 13 Evaluation of novel TGR5 agonist in combination with Sitagliptin for possible treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 28: 1849-1852 (2018) Cadila Healthcare Ltd. 2D 3D TSV
29655979 25 Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.EBI Bioorg Med Chem Lett 28: 1887-1891 (2018) Eli Lilly and Company 2D 3D TSV
29655612 10 Practical application of ligand efficiency metrics in lead optimisation.EBI Bioorg Med Chem 26: 3006-3015 (2018) AstraZeneca 2D 3D TSV
29655609 64 Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-?-lactamases.EBI Bioorg Med Chem 26: 2928-2936 (2018) University of Oxford 2D 3D TSV
29655084 8 Discovery of novel Methylsulfonyl phenyl derivatives as potent human Cyclooxygenase-2 inhibitors with effective anticonvulsant action: Design, synthesis, in-silico, in-vitro and in-vivo evaluation.EBI Eur J Med Chem 151: 520-532 (2018) University of Delhi 2D 3D TSV
29653895 210 An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.EBI Bioorg Med Chem Lett 28: 1958-1963 (2018) GlaxoSmithKline 2D 3D TSV
29653894 42 MK-8325: A silyl proline-containing NS5A inhibitor with pan-genotype activity for treatment of HCV.EBI Bioorg Med Chem Lett 28: 1954-1957 (2018) Merck & Co. 2D 3D TSV
29653491 215 Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530).EBI J Med Chem 61: 4052-4066 (2018) AbbVie 2D 3D TSV
29652494 18 Ligand-Phospholipid Conjugation: A Versatile Strategy for Developing Long-Acting Ligands That Bind to Membrane Proteins by Restricting the Subcellular Localization of the Ligand.EBI J Med Chem 61: 4020-4029 (2018) University of Shizuoka 2D 3D TSV
29652143 22 Reviewing Hit Discovery Literature for Difficult Targets: Glutathione Transferase Omega-1 as an Example.EBI J Med Chem 61: 7448-7470 (2018) Monash University 2D 3D TSV
29650463 17 A new class of pyrazolo[5,1-c][1,2,4]triazines as ?-aminobutyric type A (GABAEBI Bioorg Med Chem 26: 2475-2487 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29650462 8 Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.EBI Bioorg Med Chem 26: 2992-2995 (2018) University of Dundee 2D 3D TSV
29650293 10 Quinone skeleton as a new class of irreversible inhibitors against Staphylococcus aureus sortase A.EBI Bioorg Med Chem Lett 28: 1864-1869 (2018) Shanghai Institute of Materia Medica 2D 3D TSV
29650290 85 P3-P4 ureas and reverse carbamates as potent HCV NS3 protease inhibitors: Effective transposition of the P4 hydrogen bond donor.EBI Bioorg Med Chem Lett 28: 1853-1859 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29650289 54 Optimization of dipeptidic inhibitors of cathepsin L for improved Toxoplasma gondii selectivity and CNS permeability.EBI Bioorg Med Chem Lett 28: 1972-1980 (2018) University of Michigan 2D 3D TSV
29650287 46 Structure-activity relationship study of a series of caspase inhibitors containing ?-amino acid moiety for treatment of cholestatic liver disease.EBI Bioorg Med Chem Lett 28: 1874-1878 (2018) WuXi AppTec (Shanghai) Co. Ltd 2D 3D TSV
29649744 6 Synthesis of 7?-hydroxy-8-ketone opioid derivatives with antagonist activity at mu- and delta-opioid receptors.EBI Eur J Med Chem 151: 495-507 (2018) University of Helsinki 2D 3D TSV
29649742 55 Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells.EBI Eur J Med Chem 151: 462-481 (2018) Gwangju Institute of Science and Technology (GIST) 2D 3D TSV
29649741 56 Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.EBI Eur J Med Chem 151: 450-461 (2018) University of Texas Medical Branch 2D 3D TSV
29649738 49 Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model.EBI Eur J Med Chem 151: 389-400 (2018) China Pharmaceutical University 2D 3D TSV
29648825 47 Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.EBI J Med Chem 61: 4030-4051 (2018) Nestl� Skin Health R&D 2D 3D TSV
29648817 7 Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.EBI J Med Chem 61: 4203-4212 (2018) University of Porto 2D 3D TSV
29648813 29 Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF?) Production in Regulatory T-Cells.EBI J Med Chem 61: 4135-4154 (2018) NCE Discovery (Domainex Ltd 2D 3D TSV
29641206 11 Estrogen Receptor (ER) Subtype Selectivity Identifies 8-Prenylapigenin as an ER? Agonist from Glycyrrhiza inflata and Highlights the Importance of Chemical and Biological Authentication.EBI J Nat Prod 81: 966-975 (2018) TBA 2D 3D TSV
29641204 3 Natural Product Micheliolide (MCL) Irreversibly Activates Pyruvate Kinase M2 and Suppresses Leukemia.EBI J Med Chem 61: 4155-4164 (2018) Nankai University 2D 3D TSV
29636223 84 2-Aminoquinazolin-4(3H)-one based plasmepsin inhibitors with improved hydrophilicity and selectivity.EBI Bioorg Med Chem 26: 2488-2500 (2018) Latvian Institute of Organic Synthesis 2D 3D TSV
29636218 43 Discovery of {4-[4,9-bis(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]-2-fluorophenyl}acetic acid (GSK726701A), a novel EPEBI Bioorg Med Chem Lett 28: 1892-1896 (2018) GlaxoSmithKline 2D 3D TSV
29635168 140 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and inávivo activity for a new class of intraocular pressure lowering agents.EBI Eur J Med Chem 151: 363-375 (2018) University of Florence 2D 3D TSV
29635167 4 Novel sarsasapogenin-triazolyl hybrids as potential anti-Alzheimer's agents: Design, synthesis and biological evaluation.EBI Eur J Med Chem 151: 351-362 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29635166 3 Targeting the entrance channel of NNIBP: Discovery of diarylnicotinamide 1,4-disubstituted 1,2,3-triazoles as novel HIV-1 NNRTIs with high potency against wild-type and E138K mutant virus.EBI Eur J Med Chem 151: 339-350 (2018) Shandong University 2D 3D TSV
29634898 23 Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.EBI J Med Chem 61: 3908-3917 (2018) Universit� di Messina 2D 3D TSV
29634269 11 Drimane Sesquiterpenoids Noncompetitively Inhibit Human ?4?2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human ?3?4 and ?7 Subtypes.EBI J Nat Prod 81: 811-817 (2018) California Northstate University College of Medicine 2D 3D TSV
29634260 16 Structural Modification of Natural Product Ganomycin I Leading to Discovery of a ?-Glucosidase and HMG-CoA Reductase Dual Inhibitor Improving Obesity and Metabolic Dysfunction in Vivo.EBI J Med Chem 61: 3609-3625 (2018) University of Chinese Academy of Sciences 2D 3D TSV
29631962 252 Identification and biological evaluation of thiazole-based inverse agonists of ROR?t.EBI Bioorg Med Chem Lett 28: 1446-1455 (2018) Phenex Pharmaceuticals AG 2D 3D TSV
29631961 16 Callyspongiamides A and B, sterol O-acyltransferase inhibitors, from the Indonesian marine sponge Callyspongia sp.EBI Bioorg Med Chem Lett 28: 1911-1914 (2018) Tohoku Medical and Pharmaceutical University 2D 3D TSV
29631960 91 The design, synthesis and structure-activity relationships associated with C28 amine-based betulinic acid derivatives as inhibitors of HIV-1 maturation.EBI Bioorg Med Chem Lett 28: 1550-1557 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29631959 86 Synthesis of 3-(3-hydroxyphenyl)pyrrolidine dopamine DEBI Bioorg Med Chem Lett 28: 1897-1902 (2018) Southern Illinois University Edwardsville 2D 3D TSV
29631788 68 Design and discovery of thioether and nicotinamide containing sorafenib analogues as multikinase inhibitors targeting B-Raf, B-RafEBI Bioorg Med Chem 26: 2381-2391 (2018) Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University) 2D 3D TSV
29631787 21 Discovery and biological evaluation of novel pyrazolopyridine derivatives as potent and orally available PI3K? inhibitors.EBI Bioorg Med Chem 26: 2410-2419 (2018) Astellas Pharma Inc. 2D 3D TSV
29631132 33 The development of Bruton's tyrosine kinase (BTK) inhibitors from 2012 to 2017: A mini-review.EBI Eur J Med Chem 151: 315-326 (2018) Shaanxi University of Science & Technology 2D 3D TSV
29630366 42 Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) ?/?.EBI J Med Chem 61: 4087-4102 (2018) Ulm University Hospital 2D 3D TSV
29630364 63 Design of Aminopeptidase N Inhibitors as Anti-cancer Agents.EBI J Med Chem 61: 6468-6490 (2018) Jadavpur University 2D 3D TSV
29628329 19 Structure-guided evolution of a 2-phenyl-4-carboxyquinoline chemotype into PPAR? selective agonists: New leads for oculovascular conditions.EBI Bioorg Med Chem Lett 28: 2717-2722 (2018) University of Oklahoma 2D 3D TSV
29628327 35 Reversible, orally available ADP receptor (P2YEBI Bioorg Med Chem Lett 28: 1459-1463 (2018) King Abdullah International Medical Research Center/King Saud bin Abdulaziz University for Health Sciences 2D 3D TSV
29628326 12 Identification of a novel selective small-molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) by virtual screening, resynthesis and biological evaluations.EBI Bioorg Med Chem Lett 28: 1476-1483 (2018) University of Jinan 2D 3D TSV
29628325 7 Novel thioureido-benzenesulfonamide derivatives with enaminone linker as potent anticancer, radiosensitizers and VEGFR2 inhibitors.EBI Bioorg Med Chem Lett 28: 1464-1470 (2018) National Center for Radiation Research and Technology (NCRRT) 2D 3D TSV
29627981 45 Discovery of a Novel Small-Molecule Modulator of C-X-C Chemokine Receptor Type 7 as a Treatment for Cardiac Fibrosis.EBI J Med Chem 61: 3685-3696 (2018) Pfizer Inc 2D 3D TSV
29627725 5 Proteolysis Targeting Chimeras (PROTACs) of Anaplastic Lymphoma Kinase (ALK).EBI Eur J Med Chem 151: 304-314 (2018) Icahn School of Medicine at Mount Sinai 2D 3D TSV
29627263 120 Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.EBI Bioorg Med Chem Lett 28: 1507-1515 (2018) University of Michigan 2D 3D TSV
29627262 109 Structure-based design and discovery of potent and selective KDM5 inhibitors.EBI Bioorg Med Chem Lett 28: 1490-1494 (2018) Celgene Corporation 2D 3D TSV
29627261 15 Development of novel pyridazinone-based adenosine receptor ligands.EBI Bioorg Med Chem Lett 28: 1484-1489 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29626798 6 Synthesis and biological evaluation of clovamide analogues as potent anti-neuroinflammatory agents inávitro and inávivo.EBI Eur J Med Chem 151: 261-271 (2018) China Pharmaceutical University 2D 3D TSV
29625382 8 Phthalimide conjugations for the degradation of oncogenic PI3K.EBI Eur J Med Chem 151: 237-247 (2018) Tsinghua University 2D 3D TSV
29622412 64 Synthesis and evaluation of aminobenzothiazoles as blockers of N- and T-type calcium channels.EBI Bioorg Med Chem 26: 3046-3059 (2018) IITB-Monash Research Academy 2D 3D TSV
29620892 35 Hydroxamic Acids Constitute a Novel Class of Autotaxin Inhibitors that Exhibit in Vivo Efficacy in a Pulmonary Fibrosis Model.EBI J Med Chem 61: 3697-3711 (2018) National and Kapodistrian University of Athens 2D 3D TSV
29620890 25 Mapping the Efficiency and Physicochemical Trajectories of Successful Optimizations.EBI J Med Chem 61: 6421-6467 (2018) GlaxoSmithKline 2D 3D TSV
29617572 45 Toward?-Secretase-1 Inhibitors with Improved Isoform Selectivity.EBI J Med Chem 61: 3491-3502 (2018) AstraZeneca 2D 3D TSV
29615345 11 Synthesis, biological evaluation, and molecular docking investigation of benzhydrol- and indole-based dual PPAR-?/FFAR1 agonists.EBI Bioorg Med Chem Lett 28: 1595-1602 (2018) Suez Canal University 2D 3D TSV
29615344 101 Peptidomimetic nitrile inhibitors of malarial protease falcipain-2 with high selectivity against human cathepsins.EBI Bioorg Med Chem Lett 28: 1540-1544 (2018) IRBM Science Park 2D 3D TSV
29615343 18 Synthesis, biological evaluation and SAR of naftopidil-based arylpiperazine derivatives.EBI Bioorg Med Chem Lett 28: 1534-1539 (2018) Luoyang Normal University 2D 3D TSV
29614417 110 New potent and selective AEBI Eur J Med Chem 151: 199-213 (2018) University of Camerino 2D 3D TSV
29614224 27 Orally Available Soluble Epoxide Hydrolase/Phosphodiesterase 4 Dual Inhibitor Treats Inflammatory Pain.EBI J Med Chem 61: 3541-3550 (2018) University of California Davis 2D 3D TSV
29613789 138 Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, ?-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation.EBI J Med Chem 61: 4476-4504 (2018) Pfizer Inc. 2D 3D TSV
29609908 1 Discovery of a quinoline-based phenyl sulfone derivative as an antitrypanosomal agent.EBI Bioorg Med Chem Lett 28: 1647-1651 (2018) Jackson State University 2D 3D TSV
29609120 44 Recent progress of the development of dipeptidyl peptidase-4 inhibitors for the treatment of type 2 diabetes mellitus.EBI Eur J Med Chem 151: 145-157 (2018) Chinese Academy of Sciences 2D 3D TSV
29609119 9 Benzopyrroloxazines containing a bridgehead nitrogen atom as promising scaffolds for the achievement of biologically active agents.EBI Eur J Med Chem 151: 121-144 (2018) University of Calabria 2D 3D TSV
29608300 118 Structure-Activity Relationship Study of Cyclic Pentapeptide Ligands for Atypical Chemokine Receptor 3 (ACKR3).EBI J Med Chem 61: 3745-3751 (2018) Kyoto University 2D 3D TSV
29605997 160 Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.EBI J Med Chem 61: 3674-3684 (2018) The University of Queensland 2D 3D TSV
29605809 19 Success stories of natural product-based hybrid molecules for multi-factorial diseases.EBI Eur J Med Chem 151: 62-97 (2018) Punjabi University 2D 3D TSV
29602682 32 Designing novel inhibitors against falcipain-2 of Plasmodium falciparum.EBI Bioorg Med Chem Lett 28: 1566-1569 (2018) Delhi Institute of Pharmaceutical Sciences and Research 2D 3D TSV
29602676 26 Structure-activity relationships in a new class of non-substrate-like covalent inhibitors of the bacterial glycosyltransferase LgtC.EBI Bioorg Med Chem 26: 2973-2983 (2018) King's College London 2D 3D TSV
29602675 1 DNA sequence-specific ligands. XVII. Synthesis, spectral properties, virological and biochemical studies of fluorescent dimeric bisbenzimidazoles DBA(n).EBI Bioorg Med Chem 26: 2302-2309 (2018) Engelhardt Institute of Molecular Biology Russian Academy of Sciences 2D 3D TSV
29602674 21 Design, synthesis, and biological evaluation of new B-RafEBI Bioorg Med Chem 26: 2372-2380 (2018) Nanjing University 2D 3D TSV
29602673 49 Building bridges for highly selective, potent and stable oxytocin and vasopressin analogs.EBI Bioorg Med Chem 26: 3039-3045 (2018) Imperial College 2D 3D TSV
29602039 32 Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.EBI Eur J Med Chem 150: 930-945 (2018) University of Torino 2D 3D TSV
29602036 25 Discovery of [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives as novel, potent and selective c-Met kinase inhibitors: Synthesis, SAR study, and biological activity.EBI Eur J Med Chem 150: 809-816 (2018) China Pharmaceutical University 2D 3D TSV
29601991 22 Discovery of novel quinazolinone derivatives as high potent and selective PI3K? and PI3K?/? inhibitors.EBI Eur J Med Chem 151: 9-17 (2018) Shandong University 2D 3D TSV
29601185 44 Lead Diversification at the Nanomole Scale Using Liver Microsomes and Quantitative Nuclear Magnetic Resonance Spectroscopy: Application to Phosphodiesterase 2 Inhibitors.EBI J Med Chem 61: 3626-3640 (2018) Pfizer Inc 2D 3D TSV
29598910 16 Site-specific effect of polar functional group-modification in lipids of TLR2 ligands for modulating the ligand immunostimulatory activity.EBI Bioorg Med Chem Lett 28: 1638-1641 (2018) Keio University 2D 3D TSV
29597170 45 Identification of multi-target inhibitors of leukotriene and prostaglandin EEBI Eur J Med Chem 150: 876-899 (2018) Gazi University 2D 3D TSV
29596745 13 Imidazopyrazinones (IPYs): Non-Quinolone Bacterial Topoisomerase Inhibitors Showing Partial Cross-Resistance with Quinolones.EBI J Med Chem 61: 3565-3581 (2018) Sanofi R&D 2D 3D TSV
29595267 39 Tetrahydroquinoline Ring as a Versatile Bioisostere of Tetralin for Melatonin Receptor Ligands.EBI J Med Chem 61: 3726-3737 (2018) Universit£ degli Studi di Parma 2D 3D TSV
29590751 80 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design.EBI J Med Chem 61: 3370-3388 (2018) ETH Zurich 2D 3D TSV
29590750 58 Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.EBI J Med Chem 61: 3350-3369 (2018) ETH Zurich 2D 3D TSV
29590749 24 Discovery of a Potent (4 R,5 S)-4-Fluoro-5-methylproline Sulfonamide Transient Receptor Potential Ankyrin 1 Antagonist and Its Methylene Phosphate Prodrug Guided by Molecular Modeling.EBI J Med Chem 61: 3641-3659 (2018) Pharmaron-Beijing Co., Ltd 2D 3D TSV
29589935 4 Lipophilic Efficiency as an Important Metric in Drug Design.EBI J Med Chem 61: 6401-6420 (2018) Pfizer Inc 2D 3D TSV
29589445 154 1-[3-(4-Butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1) as a Model for the Rational Design of a Novel Class of Brain Penetrant Ligands with High Affinity and Selectivity for Dopamine DEBI J Med Chem 61: 3712-3725 (2018) Universit£ di Camerino 2D 3D TSV
29589441 78 Marbostat-100 Defines a New Class of Potent and Selective Antiinflammatory and Antirheumatic Histone Deacetylase 6 Inhibitors.EBI J Med Chem 61: 3454-3477 (2018) University of Regensburg 2D 3D TSV
29587221 31 Structure-activity relationships of 2, 4-disubstituted pyrimidines as dual ER?/VEGFR-2 ligands with anti-breast cancer activity.EBI Eur J Med Chem 150: 783-795 (2018) China Pharmaceutical University 2D 3D TSV
29578710 26 Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.EBI J Med Chem 61: 3660-3673 (2018) Max Planck Institute of Psychiatry 2D 3D TSV
29578343 32 Human?-Defensiná1 and?-Defensiná3 (Mouse Ortholog mBD14) Function as Full Endogenous Agonists at Select Melanocortin Receptors.EBI J Med Chem 61: 3738-3744 (2018) University of Florida 2D 3D TSV
29578342 35 Isolation, Characterization, and Structure-Activity Relationship Analysis of Abietane Diterpenoids from Callicarpa bodinieri as Spleen Tyrosine Kinase Inhibitors.EBI J Nat Prod 81: 998-1006 (2018) Yunnan University 2D 3D TSV
29576272 23 Synthesis and evaluation of 2,9-disubstituted 8-phenylthio/phenylsulfinyl-9H-purine as new EGFR inhibitors.EBI Bioorg Med Chem 26: 2173-2185 (2018) Xi'an Jiaotong University 2D 3D TSV
29576271 47 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships.EBI Bioorg Med Chem 26: 2107-2150 (2018) GlaxoSmithKline Research and Development 2D 3D TSV
29576270 47 Synthesis and biological evaluation of pyrimidine derivatives as novel human Pin1 inhibitors.EBI Bioorg Med Chem 26: 2186-2197 (2018) Chinese Academy of Medical Sciences & Peking Union Medical College 2D 3D TSV
29574204 54 Design and synthesis of aryloxypropanolamine as ?EBI Eur J Med Chem 150: 757-770 (2018) East China Normal University 2D 3D TSV
29574203 4 Inhibitors of phosphodiesterase as cancer therapeutics.EBI Eur J Med Chem 150: 742-756 (2018) Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital 2D 3D TSV
29574202 4 Structure-based design of bacterial transglycosylase inhibitors incorporating biphenyl, amine linker and 2-alkoxy-3-phosphorylpropanoate moieties.EBI Eur J Med Chem 150: 729-741 (2018) National Taiwan University 2D 3D TSV
29571573 34 Sulfoximines as potent ROR? inverse agonists.EBI Bioorg Med Chem Lett 28: 1269-1273 (2018) Nestle Skin Health 2D 3D TSV
29571157 2 Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and analogues.EBI Eur J Med Chem 150: 698-718 (2018) University of Siena 2D 3D TSV
29571155 124 Synthesis of novel 4-functionalized 1,5-diaryl-1,2,3-triazoles containing benzenesulfonamide moiety as carbonic anhydrase I, II, IV and IX inhibitors.EBI Eur J Med Chem 150: 678-686 (2018) Kurukshetra University 2D 3D TSV
29567459 49 1-Aroylindoline-hydroxamic acids as anticancer agents, inhibitors of HSP90 and HDAC.EBI Eur J Med Chem 150: 667-677 (2018) Taipei Medical University 2D 3D TSV
29567458 3 Synthesis and antikinetoplastid evaluation of bis(benzyl)spermidine derivatives.EBI Eur J Med Chem 150: 655-666 (2018) Universit£ Paris-Saclay 2D 3D TSV
29567345 7 Evaluation of analogues of furan-amidines as inhibitors of NQO2.EBI Bioorg Med Chem Lett 28: 1292-1297 (2018) University of Manchester 2D 3D TSV
29567296 86 Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2.EBI Bioorg Med Chem 26: 2965-2972 (2018) University of Oxford 2D 3D TSV
29567295 19 Design, synthesis and biological evaluation of novel 3-substituted pyrazolopyrimidine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors.EBI Bioorg Med Chem 26: 2165-2172 (2018) Shanghai Institute of Pharmaceutical Industry 2D 3D TSV
29562737 74 Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.EBI J Med Chem 61: 2837-2864 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29561612 5 Small-Molecule Activator of UNC-51-Like Kinase 1 (ULK1) That Induces Cytoprotective Autophagy for Parkinson's Disease Treatment.EBI J Med Chem 61: 2776-2792 (2018) Sichuan University 2D 3D TSV
29561151 58 4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors.EBI J Med Chem 61: 3076-3088 (2018) TBA 2D 3D TSV
29559278 99 Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.EBI Bioorg Med Chem Lett 28: 1336-1341 (2018) AstraZeneca 2D 3D TSV
29559198 54 New phenylaniline derivatives as modulators of amyloid protein precursor metabolism.EBI Bioorg Med Chem 26: 2151-2164 (2018) University of Lille 2D 3D TSV
29559197 41 The discovery of novel diarylpyri(mi)dine derivatives with high level activity against a wide variety of HIV-1 strains as well as against HIV-2.EBI Bioorg Med Chem 26: 2051-2060 (2018) Shandong University 2D 3D TSV
29558126 25 Synthesis and Evaluation of the First Fluorescent Antagonists of the Human P2YEBI J Med Chem 61: 3089-3113 (2018) University Park Nottingham 2D 3D TSV
29558119 30 Bioactive Indolocarbazoles from the Marine-Derived Streptomyces sp. DT-A61.EBI J Nat Prod 81: 949-956 (2018) Zhejiang University 2D 3D TSV
29555420 2 A genetically selected cyclic peptide inhibitor of BCL6 homodimerization.EBI Bioorg Med Chem 26: 3034-3038 (2018) University of Southampton 2D 3D TSV
29555419 74 Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors.EBI Bioorg Med Chem 26: 1727-1739 (2018) National Center for Advancing Translational Sciences 2D 3D TSV
29555153 12 Synthesis and activity of functionalizable derivatives of the serotonin (5-HT) 5-HTEBI Bioorg Med Chem Lett 28: 1381-1385 (2018) University of Houston 2D 3D TSV
29553733 9 Antibacterial Muraymycins from Mutant Strains of Streptomyces sp. NRRL 30471.EBI J Nat Prod 81: 942-948 (2018) Nanjing University of Chinese Medicine 2D 3D TSV
29550094 28 Structure-based drug design of 1,3,6-trisubstituted 1,4-diazepan-7-ones as selective human kallikrein 7 inhibitors.EBI Bioorg Med Chem Lett 28: 1371-1375 (2018) Asubio Pharma Co., Ltd. 2D 3D TSV
29550093 13 Discovery of novel CDK inhibitors via scaffold hopping from CAN508.EBI Bioorg Med Chem Lett 28: 1386-1391 (2018) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
29549841 8 Design, synthesis and anticancer evaluation of novel spirobenzo[h]chromene and spirochromane derivatives with dual EGFR and B-RAF inhibitory activities.EBI Eur J Med Chem 150: 567-578 (2018) Beni-Suef University 2D 3D TSV
29549837 151 Design, synthesis, biological evaluation and inávivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease.EBI Eur J Med Chem 150: 506-524 (2018) University of Navarra 2D 3D TSV
29549836 47 Challenging clinically unresponsive medullary thyroid cancer: Discovery and pharmacological activity of novel RET inhibitors.EBI Eur J Med Chem 150: 491-505 (2018) Universit£ di Napoli "Federico II" 2D 3D TSV
29548573 14 Identification of second-generation P2X3 antagonists for treatment of pain.EBI Bioorg Med Chem Lett 28: 1392-1396 (2018) Merck & Co. 2D 3D TSV
29548571 43 Design, synthesis, and evaluation of simple phenol amides as ERR? agonists.EBI Bioorg Med Chem Lett 28: 1313-1319 (2018) The Scripps Research Institute 2D 3D TSV
29547832 12 New insights in the structure-activity relationships of 2-phenylamino-substituted benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors.EBI Eur J Med Chem 150: 446-456 (2018) Universit£ di Pisa 2D 3D TSV
29547830 5 Novel ciprofloxacin hybrids using biology oriented drug synthesis (BIODS) approach: Anticancer activity, effects on cell cycle profile, caspase-3 mediated apoptosis, topoisomerase II inhibition, and antibacterial activity.EBI Eur J Med Chem 150: 403-418 (2018) Cairo University 2D 3D TSV
29547696 78 Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.EBI J Med Chem 61: 2680-2693 (2018) St. Jude Children's Research Hospital 2D 3D TSV
29547693 53 Discovery of an Orally Bioavailable Inhibitor of Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.EBI J Med Chem 61: 2694-2706 (2018) St. Jude Children's Research Hospital 2D 3D TSV
29547272 76 New Inhibitors of Breast Cancer Resistance Protein (ABCG2) Containing a 2,4-Disubstituted Pyridopyrimidine Scaffold.EBI J Med Chem 61: 3389-3408 (2018) University of Bonn 2D 3D TSV
29545103 27 Design and synthesis of triple inhibitors of janus kinase (JAK), histone deacetylase (HDAC) and Heat Shock Protein 90 (HSP90).EBI Bioorg Med Chem Lett 28: 1357-1362 (2018) National University of Singapore 2D 3D TSV
29545102 159 Discovery of a highly potent orally bioavailable imidazo-[1, 2-a]pyrazine Aurora inhibitor.EBI Bioorg Med Chem Lett 28: 1397-1403 (2018) Merck & Co. 2D 3D TSV
29545101 55 Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.EBI Bioorg Med Chem Lett 28: 1188-1193 (2018) South China Agricultural University 2D 3D TSV
29544149 5 Discovery of 4-((N-(2-(dimethylamino)ethyl)acrylamido)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide (CHMFL-PDGFR-159) as a highly selective type II PDGFR? kinase inhibitor for PDGFR? driving chronic eosinophilic leukemia.EBI Eur J Med Chem 150: 366-384 (2018) Chinese Academy of Sciences 2D 3D TSV
29544147 36 Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.EBI Eur J Med Chem 150: 334-346 (2018) Wichita State University 2D 3D TSV
29544056 3 Synthesis and Pharmacological Evaluation of Heterocyclic Carboxamides: Positive Allosteric Modulators of the MEBI J Med Chem 61: 2875-2894 (2018) Monash University (Parkville Campus) 2D 3D TSV
29543461 14 Discovery of Nanomolar Desmuramylpeptide Agonists of the Innate Immune Receptor Nucleotide-Binding Oligomerization Domain-Containing Protein 2 (NOD2) Possessing Immunostimulatory Properties.EBI J Med Chem 61: 2707-2724 (2018) University of Ljubljana 2D 3D TSV
29543451 16 Analyses of Synthetic N-Acyl Dopamine Derivatives Revealing Different Structural Requirements for Their Anti-inflammatory and Transient-Receptor-Potential-Channel-of-the-Vanilloid-Receptor-Subfamily-Subtype-1 (TRPV1)-Activating Properties.EBI J Med Chem 61: 3126-3137 (2018) Mannheim University of Applied Sciences 2D 3D TSV
29541373 10 Stereochemical Structure Activity Relationship Studies (S-SAR) of Tetrahydrolipstatin.EBI ACS Med Chem Lett 9: 274-278 (2018) Northeastern University 2D 3D TSV
29541372 2 Elimination of HIV-1 Latently Infected Cells by Gnidimacrin and a Selective HDAC Inhibitor.EBI ACS Med Chem Lett 9: 268-273 (2018) Duke University Medical Center 2D 3D TSV
29541371 28 Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.EBI ACS Med Chem Lett 9: 262-267 (2018) Guangzhou Medical University 2D 3D TSV
29541370 41 Discovery of Pyridopyrimidinones as Potent and Orally Active Dual Inhibitors of PI3K/mTOR.EBI ACS Med Chem Lett 9: 256-261 (2018) WuXi AppTec (Shanghai) Co. Ltd. 2D 3D TSV
29541369 37 Linker Variation and Structure-Activity Relationship Analyses of Carboxylic Acid-based Small Molecule STAT3 Inhibitors.EBI ACS Med Chem Lett 9: 250-255 (2018) University of Hawaii Cancer Center 2D 3D TSV
29541367 50 Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors.EBI ACS Med Chem Lett 9: 238-243 (2018) Almac Discovery Ltd. 2D 3D TSV
29541366 64 Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant EBI ACS Med Chem Lett 9: 233-237 (2018) East China University of Science and Technology 2D 3D TSV
29541365 15 In Search of the Optimal Macrocyclization Site for Neurotensin.EBI ACS Med Chem Lett 9: 227-232 (2018) Universit£ de Sherbrooke 2D 3D TSV
29541364 26 Mitigating the Metabolic Liability of Carbonyl Reduction: Novel Calpain Inhibitors with P1' Extension.EBI ACS Med Chem Lett 9: 221-226 (2018) AbbVie Deutschland GmbH & Co. KG 2D 3D TSV
29541363 57 2-Formylpyridyl Ureas as Highly Selective Reversible-Covalent Inhibitors of Fibroblast Growth Factor Receptor 4.EBI ACS Med Chem Lett 9: 215-220 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29541362 2 Discovery of a Stress-Activated Protein Kinase Inhibitor for Lymphatic Filariasis.EBI ACS Med Chem Lett 9: 210-214 (2018) Montclair State University 2D 3D TSV
29541360 25 Unraveling the Binding, Proton Blockage, and Inhibition of Influenza M2 WT and S31N by Rimantadine Variants.EBI ACS Med Chem Lett 9: 198-203 (2018) National and Kapodistrian University of Athens 2D 3D TSV
29541355 35 Dual GSK-3?/AChE Inhibitors as a New Strategy for Multitargeting Anti-Alzheimer's Disease Drug Discovery.EBI ACS Med Chem Lett 9: 171-176 (2018) China Pharmaceutical University 2D 3D TSV
29541354 6 Thiazole Derivatives as Inhibitors for the Treatment of Cancer Cells Resistant.EBI ACS Med Chem Lett 9: 169-170 (2018) Usona Institute 2D 3D TSV
29541353 18 Histone Deacetylase Inhibitors as Treatment for Targeting Multiple Components in Cancer Therapy.EBI ACS Med Chem Lett 9: 167-168 (2018) Usona Institute 2D 3D TSV
29541352 6 Azabicyclic Fused Pyrimidine Derivatives Useful for the Treatment of Alzheimer's Disease.EBI ACS Med Chem Lett 9: 165-166 (2018) Temple University School of Pharmacy 2D 3D TSV
29541351 10 Allosteric Modulators of Nicotinic Acetylcholine Receptors Useful for the Treatment of Cognitive Impairment.EBI ACS Med Chem Lett 9: 163-164 (2018) Temple University School of Pharmacy 2D 3D TSV
29541350 24 Acyl Sulfonamides NaV1.7 Blockers Useful for the Treatment of Pain.EBI ACS Med Chem Lett 9: 161-162 (2018) Temple University School of Pharmacy 2D 3D TSV
29537847 30 Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.EBI J Med Chem 61: 3193-3208 (2018) The University of Texas M.D. Anderson Cancer Center 2D 3D TSV
29534936 30 Novel 6-aryl substituted 4-pyrrolidineaminoquinazoline derivatives as potent phosphoinositide 3-kinase delta (PI3K?) inhibitors.EBI Bioorg Med Chem 26: 2028-2040 (2018) Xi'an Jiaotong University 2D 3D TSV
29534934 14 Discovery of potent DOT1L inhibitors by AlphaLISA based High Throughput Screening assay.EBI Bioorg Med Chem 26: 1751-1758 (2018) University of Science and Technology of China 2D 3D TSV
29534931 7 Perfluoroarene-based peptide macrocycles that inhibit the Nrf2/Keap1 interaction.EBI Bioorg Med Chem Lett 28: 2728-2731 (2018) University of East Anglia 2D 3D TSV
29534930 34 Identification of an aminothiazole series of ROR? modulators.EBI Bioorg Med Chem Lett 28: 1178-1181 (2018) The Scripps Research Institute 2D 3D TSV
29534929 2 First discovery of a potential carbonate prodrug of NNRTI drug candidate RDEA427 with submicromolar inhibitory activity against HIV-1 K103N/Y181C double mutant strain.EBI Bioorg Med Chem Lett 28: 1348-1351 (2018) Shandong University 2D 3D TSV
29534926 89 Discovery of N-aryl-N'-pyrimidin-4-yl ureas as irreversible L858R/T790M mutant selective epidermal growth factor receptor inhibitors.EBI Bioorg Med Chem Lett 28: 1257-1261 (2018) Shanghai Haiyan Pharmaceutical Technology Co. Itd. 2D 3D TSV
29534925 9 A novel templates of piperazinyl-1,2-dihydroquinoline-3-carboxylates: Synthesis, anti-microbial evaluation and molecular docking studies.EBI Bioorg Med Chem Lett 28: 1166-1170 (2018) CSIR-Institute of Chemical Technology 2D 3D TSV
29534798 25 Indole acids as a novel PDE2 inhibitor chemotype that demonstrate pro-cognitive activity in multiple species.EBI Bioorg Med Chem Lett 28: 1122-1126 (2018) Merck & Co. Inc. 2D 3D TSV
29533874 76 The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease.EBI Eur J Med Chem 150: 292-306 (2018) University of Defence 2D 3D TSV
29533873 54 Discovery of meta-sulfamoyl N-hydroxybenzamides as HDAC8 selective inhibitors.EBI Eur J Med Chem 150: 282-291 (2018) Shandong University 2D 3D TSV
29530347 42 Xanthone derivatives as phosphoglycerate mutase 1 inhibitors: Design, synthesis, and biological evaluation.EBI Bioorg Med Chem 26: 1961-1970 (2018) Fudan University 2D 3D TSV
29529504 2 Synthesis and antimycobacterial activity of 1-(?-d-Ribofuranosyl)-4-coumarinyloxymethyl- / -coumarinyl-1,2,3-triazole.EBI Eur J Med Chem 150: 268-281 (2018) University of Delhi 2D 3D TSV
29529503 9 Identification of small-molecule inhibitors of USP2a.EBI Eur J Med Chem 150: 261-267 (2018) Jagiellonian University 2D 3D TSV
29529501 18 Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy?EBI Eur J Med Chem 150: 206-227 (2018) Instituto de Qu£mica M£dica (IQM, CSIC) 2D 3D TSV
29528635 14 Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.EBI J Med Chem 61: 2793-2805 (2018) Hauptman-Woodward Medical Research Institute 2D 3D TSV
29526099 5 Design, Synthesis, and Biological Activity of New N-(Phenylmethyl)-benzoxazol-2-thiones as Macrophage Migration Inhibitory Factor (MIF) Antagonists: Efficacies in Experimental Pulmonary Hypertension.EBI J Med Chem 61: 2725-2736 (2018) Hospital Marie Lannelongue 2D 3D TSV
29526098 61 Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.EBI J Med Chem 61: 3516-3540 (2018) eFFECTOR Therapeutics 2D 3D TSV
29525435 44 Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.EBI Eur J Med Chem 150: 156-175 (2018) Chinese Academy of Sciences 2D 3D TSV
29525433 41 The aminopyridine-3,5-dicarbonitrile core for the design of new non-nucleoside-like agonists of the human adenosine AEBI Eur J Med Chem 150: 127-139 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29525337 27 Studies on non-steroidal inhibitors of aromatase enzyme; 4-(aryl/heteroaryl)-2-(pyrimidin-2-yl)thiazole derivatives.EBI Bioorg Med Chem 26: 1986-1995 (2018) Istanbul Medipol University 2D 3D TSV
29525335 14 Design and synthesis of estrogen receptor ligands with a 4-heterocycle-4-phenylheptane skeleton.EBI Bioorg Med Chem 26: 1638-1642 (2018) Nagasaki University 2D 3D TSV
29525218 13 Identification of caffeoylquinic acid derivatives as natural protein tyrosine phosphatase 1B inhibitors from Artemisia princeps.EBI Bioorg Med Chem Lett 28: 1194-1197 (2018) China Pharmaceutical University 2D 3D TSV
29524731 76 Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease.EBI Eur J Med Chem 150: 87-101 (2018) Indian Institute of Technology (Banaras Hindu University) 2D 3D TSV
29523469 52 A novel series of 4-methyl substituted pyrazole derivatives as potent glucagon receptor antagonists: Design, synthesis and evaluation of biological activities.EBI Bioorg Med Chem 26: 1896-1908 (2018) Chinese Academy of Sciences 2D 3D TSV
29523385 34 Synthesis and biological evaluation of benzocyclobutane-C-glycosides as potent and orally active SGLT1/SGLT2 dual inhibitors.EBI Bioorg Med Chem Lett 28: 1182-1187 (2018) Janssen Research and Development, L.L.C. 2D 3D TSV
29522685 6 Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells.EBI J Med Chem 61: 2910-2923 (2018) Universit£ di Napoli Federico II 2D 3D TSV
29519739 4 Small molecule modulators of PCSK9 - A literature and patent overview.EBI Bioorg Med Chem Lett 28: 1155-1160 (2018) AstraZeneca 2D 3D TSV
29519738 73 Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2.EBI Bioorg Med Chem Lett 28: 1211-1218 (2018) Glenmark Pharmaceuticals Limited 2D 3D TSV
29519735 38 Inhibition of histone lysine methyltransferases G9a and GLP by ejection of structural Zn(II).EBI Bioorg Med Chem Lett 28: 1234-1238 (2018) Radboud University 2D 3D TSV
29519733 26 Design and synthesis of novel and potent GPR119 agonists with a spirocyclic structure.EBI Bioorg Med Chem Lett 28: 1228-1233 (2018) Japan Tobacco Inc. 2D 3D TSV
29519604 22 Synthesis and biological evaluation of histone deacetylase and DNA topoisomerase II-Targeted inhibitors.EBI Bioorg Med Chem 26: 1920-1928 (2018) Kindai University 2D 3D TSV
29518319 36 Further Developments of the Phenyl-Pyrrolyl Pentane Series of Nonsteroidal Vitamin D Receptor Modulators as Anticancer Agents.EBI J Med Chem 61: 3059-3075 (2018) China Pharmaceutical University 2D 3D TSV
29518312 78 Discovery of N1-(4-((7-Cyclopentyl-6-(dimethylcarbamoyl)-7 H-pyrrolo[2,3- d]pyrimidin-2-yl)amino)phenyl)- N8-hydroxyoctanediamide as a Novel Inhibitor Targeting Cyclin-dependent Kinase 4/9 (CDK4/9) and Histone Deacetlyase1 (HDAC1) against Malignant Cancer.EBI J Med Chem 61: 3166-3192 (2018) Nankai University 2D 3D TSV
29517911 87 Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema.EBI J Med Chem 61: 2823-2836 (2018) Bicycle Therapeutics Limited 2D 3D TSV
29517238 3 Catecholic Isoquinolines from Portulaca oleracea and Their Anti-inflammatory and ?EBI J Nat Prod 81: 768-777 (2018) Shandong University 2D 3D TSV
29510947 20 A combination ofEBI Bioorg Med Chem 26: 1929-1938 (2018) The University of Tokyo 2D 3D TSV
29510040 30 Discovery of Novel KRAS-PDE? Inhibitors by Fragment-Based Drug Design.EBI J Med Chem 61: 2604-2610 (2018) Second Military Medical University 2D 3D TSV
29509411 8 UNC-51-like Kinase 1: From an Autophagic Initiator to Multifunctional Drug Target.EBI J Med Chem 61: 6491-6500 (2018) Sichuan Universitt China Hospital 2D 3D TSV
29506958 9 Benzoxazin-4-ones as novel, easily accessible inhibitors for rhomboid proteases.EBI Bioorg Med Chem Lett 28: 1423-1427 (2018) KU Leuven 2D 3D TSV
29505935 13 Indole in the target-based design of anticancer agents: A versatile scaffold with diverse mechanisms.EBI Eur J Med Chem 150: 9-29 (2018) Mazandaran University of Medical Sciences 2D 3D TSV
29505934 31 Design and synthesis of furyl/thineyl pyrroloquinolones based on natural alkaloid perlolyrine, lead to the discovery of potent and selective PDE5 inhibitors.EBI Eur J Med Chem 150: 30-38 (2018) Shandong University 2D 3D TSV
29503024 138 Cathepsin B inhibitors: Further exploration of the nitroxoline core.EBI Bioorg Med Chem Lett 28: 1239-1247 (2018) University of Ljubljana 2D 3D TSV
29502405 57 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.EBI J Med Chem 61: 2472-2489 (2018) Rhône-Poulenc Rorer 2D 3D TSV
29501946 3 Identification of Pyrazolo[3,4-e][1,4]thiazepin based CYP51 inhibitors as potential Chagas disease therapeutic alternative: Inávitro and inávivo evaluation, binding mode prediction and SAR exploration.EBI Eur J Med Chem 149: 257-268 (2018) Instituto Oswaldo Cruz 2D 3D TSV
29501944 7 Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled ?-helical peptides with improved proteolytic stability.EBI Eur J Med Chem 149: 238-247 (2018) Instituto de Qu£mica M£dica (IQM-CSIC) 2D 3D TSV
29501416 2 Adenosine analogs bearing phosphate isosteres as human MDO1 ligands.EBI Bioorg Med Chem 26: 1588-1597 (2018) University of Helsinki 2D 3D TSV
29501415 3 Synthesis and evaluation of 4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran] analogues against both active and dormant Mycobacterium tuberculosis.EBI Bioorg Med Chem 26: 1462-1469 (2018) Institute of Technology & Science-Pilani 2D 3D TSV
29501396 59 Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.EBI Bioorg Med Chem Lett 28: 987-992 (2018) Bristol-Myers Squibb Company 2D 3D TSV
29500940 25 The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.EBI Eur J Med Chem 149: 148-169 (2018) Central South University 2D 3D TSV
29500132 59 Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and ?-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease.EBI Bioorg Med Chem 26: 1885-1895 (2018) Sichuan University 2D 3D TSV
29500131 38 Structure optimization and preliminary bioactivity evaluation of N-hydroxybenzamide-based HDAC inhibitors with Y-shaped cap.EBI Bioorg Med Chem 26: 1859-1868 (2018) Shandong University 2D 3D TSV
29500130 152 Design, synthesis and biological evaluation of novel hydroxamic acid based histone deacetylase 6 selective inhibitors bearing phenylpyrazol scaffold as surface recognition motif.EBI Bioorg Med Chem 26: 1418-1425 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29499489 18 Facile synthesis of 1,2-dione-containing abietane analogues for the generation of human carboxylesterase inhibitors.EBI Eur J Med Chem 149: 79-89 (2018) St. Jude Children's Research Hospital 2D 3D TSV
29499483 10 Discovery and characterization of a potent Wnt and hedgehog signaling pathways dual inhibitor.EBI Eur J Med Chem 149: 110-121 (2018) Soochow University 2D 3D TSV
29499113 77 Class I HDAC Inhibitors Display Different Antitumor Mechanism in Leukemia and Prostatic Cancer Cells Depending on Their p53 Status.EBI J Med Chem 61: 2589-2603 (2018) Medical University of South Carolina 2D 3D TSV
29499108 118 Design, Synthesis, and Structure-Activity Relationship Study of 2-Oxo-3,4-dihydropyrimido[4,5- d]pyrimidines as New Colony Stimulating Factor 1 Receptor (CSF1R) Kinase Inhibitors.EBI J Med Chem 61: 2353-2371 (2018) Chinese Academy of Sciences 2D 3D TSV
29498843 28 Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation.EBI J Med Chem 61: 3008-3026 (2018) Pfizer Inc 2D 3D TSV
29498517 1 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.EBI J Med Chem 61: 3309-3324 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29496411 13 Discovery and optimization of tetrahydropyrido[4,3-d]pyrimidine derivatives as novel ATX and EGFR dual inhibitors.EBI Bioorg Med Chem 26: 1784-1796 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29496367 6 Novel polyamine-based Histone deacetylases-Lysine demethylase 1 dual binding inhibitors.EBI Bioorg Med Chem Lett 28: 1001-1004 (2018) Alma Mater Studiorum-University of Bologna 2D 3D TSV
29494843 29 Design, synthesis, and structure-activity-relationship of a novel series of CXCR4 antagonists.EBI Eur J Med Chem 149: 30-44 (2018) Soochow University 2D 3D TSV
29494161 100 Potent and Selective Inhibitors of Human Sirtuin 5.EBI J Med Chem 61: 2460-2471 (2018) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
29494148 10 Structure-Activity Relationship in Monosaccharide-Based Toll-Like Receptor 4 (TLR4) Antagonists.EBI J Med Chem 61: 2895-2909 (2018) University of Milano-Bicocca 2D 3D TSV
29486970 46 Bicyclo((aryl)methyl)benzamides as inhibitors of GlyT1.EBI Bioorg Med Chem Lett 28: 1043-1049 (2018) AstraZeneca 2D 3D TSV
29486969 14 Design and synthesis of 1,4-substituted 1H-1,2,3-triazolo-quinazolin-4(3H)-ones by Huisgen 1,3-dipolar cycloaddition with PI3K? isoform selective activity.EBI Bioorg Med Chem Lett 28: 1005-1010 (2018) India Academy of Scientific & Innovative Research (AcSIR) 2D 3D TSV
29486953 23 Discovery of selective EGFR modulator to inhibit L858R/T790M double mutants bearing a N-9-Diphenyl-9H-purin-2-amine scaffold.EBI Bioorg Med Chem 26: 1810-1822 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29486951 35 Design, synthesis and biological evaluation of novel 7-azaspiro[3.5]nonane derivatives as GPR119 agonists.EBI Bioorg Med Chem 26: 1832-1847 (2018) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
29485874 41 Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.EBI J Med Chem 61: 2533-2551 (2018) Sprint Bioscience AB 2D 3D TSV
29485864 30 Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.EBI J Med Chem 61: 2384-2409 (2018) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
29482951 10 Synthesis of 3-aza[4.4.3]propellanes with high ?EBI Bioorg Med Chem 26: 1705-1712 (2018) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
29482950 43 Structure-activity relationships for analogs of the tuberculosis drug bedaquiline with the naphthalene unit replaced by bicyclic heterocycles.EBI Bioorg Med Chem 26: 1797-1809 (2018) University of Auckland 2D 3D TSV
29482943 9 Synthesis and evaluation of substituted 4-arylimino-3-hydroxybutanoic acids as potential HIV-1 integrase inhibitors.EBI Bioorg Med Chem Lett 28: 1067-1070 (2018) Rhodes University 2D 3D TSV
29478803 10 Design and synthesis of 1-(1-benzothiophen-7-yl)-1H-pyrazole, a novel series of G protein-coupled receptor 52 (GPR52) agonists.EBI Bioorg Med Chem 26: 1598-1608 (2018) Takeda Pharmaceutical Company Ltd. 2D 3D TSV
29478802 37 Pharmacophore requirements for HIV-1 reverse transcriptase inhibitors that selectively "Freeze" the pre-translocated complex during the polymerization catalytic cycle.EBI Bioorg Med Chem 26: 1713-1726 (2018) McGill University 2D 3D TSV
29477889 36 Novel indanone derivatives as MAO B/HEBI Eur J Med Chem 148: 487-497 (2018) Heinrich Heine University Duesseldorf 2D 3D TSV
29477888 19 Synthesis and molecular docking of new roflumilast analogues as preferential-selective potent PDE-4B inhibitors with improved pharmacokinetic profile.EBI Eur J Med Chem 148: 477-486 (2018) Cairo University 2D 3D TSV
29477887 27 Discovery of carbazole carboxamides as novel ROR?t inverse agonists.EBI Eur J Med Chem 148: 465-476 (2018) Fudan University 2D 3D TSV
29477813 4 Targeting RORs nuclear receptors by novel synthetic steroidal inverse agonists for autoimmune disorders.EBI Bioorg Med Chem 26: 1686-1704 (2018) University of Padova 2D 3D TSV
29477077 17 Pan-NS3 protease inhibitors of hepatitis C virus based on an REBI Eur J Med Chem 148: 453-464 (2018) Uppsala University 2D 3D TSV
29477076 24 Secretase inhibitors for the treatment of Alzheimer's disease: Long road ahead.EBI Eur J Med Chem 148: 436-452 (2018) Indian Institute of Technology (Banaras Hindu University) 2D 3D TSV
29477075 3 Precise structures of fucosylated glycosaminoglycan and its oligosaccharides as novel intrinsic factor Xase inhibitors.EBI Eur J Med Chem 148: 423-435 (2018) Chinese Academy of Sciences 2D 3D TSV
29477074 79 Benzomorphan scaffold for opioid analgesics and pharmacological tools development: A comprehensive review.EBI Eur J Med Chem 148: 410-422 (2018) University of Catania 2D 3D TSV
29477073 32 Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation.EBI Eur J Med Chem 148: 397-409 (2018) Chungnam National University 2D 3D TSV
29477072 10 Family-wide analysis of aminoacyl-sulfamoyl-3-deazaadenosine analogues as inhibitors of aminoacyl-tRNA synthetases.EBI Eur J Med Chem 148: 384-396 (2018) KU Leuven 2D 3D TSV
29475582 8 Novel 4-aminoquinazoline derivatives induce growth inhibition, cell cycle arrest and apoptosis via PI3K? inhibition.EBI Bioorg Med Chem 26: 1675-1685 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29475581 39 Investigation of multi-target-directed ligands (MTDLs) with butyrylcholinesterase (BuChE) and indoleamine 2,3-dioxygenase 1 (IDO1) inhibition: The design, synthesis of miconazole analogues targeting Alzheimer's disease.EBI Bioorg Med Chem 26: 1665-1674 (2018) China Pharmaceutical University 2D 3D TSV
29472126 36 Development of benzoxazole deoxybenzoin oxime and acyloxylamine derivatives targeting innate immune sensors and xanthine oxidase for treatment of gout.EBI Bioorg Med Chem 26: 1653-1664 (2018) Soochow University 2D 3D TSV
29472125 20 Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors.EBI Bioorg Med Chem 26: 1579-1587 (2018) Hungarian Academy of Sciences 2D 3D TSV
29470068 4 Reduction of Circulating Cancer Cells and Metastases in Breast-Cancer Models by a Potent EphA2-Agonistic Peptide-Drug Conjugate.EBI J Med Chem 61: 2052-2061 (2018) University of California 2D 3D TSV
29469570 2 Ribemansides A and B, TRPC6 Inhibitors from Ribes manshuricum That Suppress TGF-?1-Induced Fibrogenesis in HK-2 Cells.EBI J Nat Prod 81: 913-917 (2018) China Pharmaceutical University 2D 3D TSV
29466778 2 New MD2 inhibitors derived from curcumin with improved anti-inflammatory activity.EBI Eur J Med Chem 148: 291-305 (2018) Wenzhou Medical University 2D 3D TSV
29466775 9 Novel Tacrine-Hydroxyphenylbenzimidazole hybrids as potential multitarget drug candidates for Alzheimer's disease.EBI Eur J Med Chem 148: 255-267 (2018) Universidade de Lisboa 2D 3D TSV
29466774 78 Synthesis and activity towards Alzheimer's disease inávitro: Tacrine, phenolic acid and ligustrazine hybrids.EBI Eur J Med Chem 148: 238-254 (2018) Chinese Academy of Medical Sciences & Peking Union Medical College 2D 3D TSV
29466773 47 Discovery of 2,4,6-trisubstitued pyrido[3,4-d]pyrimidine derivatives as new EGFR-TKIs.EBI Eur J Med Chem 148: 221-237 (2018) Xi'an Jiaotong University 2D 3D TSV
29466005 25 Optimization of Metabolic and Renal Clearance in a Series of Indole Acid Direct Activators of 5'-Adenosine Monophosphate-Activated Protein Kinase (AMPK).EBI J Med Chem 61: 2372-2383 (2018) Pfizer Inc 2D 3D TSV
29466002 193 Development of Potent Inhibitors of Receptor Tyrosine Kinases by Ligand-Based Drug Design and Target-Biased Phenotypic Screening.EBI J Med Chem 61: 2104-2110 (2018) University of Edinburgh 2D 3D TSV
29466001 208 Introduction of Intrinsic Kinetics of Protein-Ligand Interactions and Their Implications for Drug Design.EBI J Med Chem 61: 2292-2302 (2018) Vilnius University 2D 3D TSV
29463448 1 Discovery and validation of 2-styryl substituted benzoxazin-4-ones as a novel scaffold for rhomboid protease inhibitors.EBI Bioorg Med Chem Lett 28: 1417-1422 (2018) Heinrich-Heine University Duesseldorf 2D 3D TSV
29463447 31 Novel inhibitors of Staphylococcus aureus RnpA that synergize with mupirocin.EBI Bioorg Med Chem Lett 28: 1127-1131 (2018) Temple University School of Pharmacy 2D 3D TSV
29461846 1 CaEBI J Nat Prod 81: 1070-1074 (2018) Iwate University 2D 3D TSV
29461833 71 A Systematic Exploration of Macrocyclization in Apelin-13: Impact on Binding, Signaling, Stability, and Cardiovascular Effects.EBI J Med Chem 61: 2266-2277 (2018) Universit£ de Sherbrooke 2D 3D TSV
29461827 35 Current Insights of BRAF Inhibitors in Cancer.EBI J Med Chem 61: 5775-5793 (2018) Albert Einstein College of Medicine 2D 3D TSV
29461823 2 Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.EBI J Med Chem 61: 2329-2352 (2018) University of Auckland 2D 3D TSV
29459279 10 Cyclic peptide inhibitors of lysine-specific demethylase 1 with improved potency identified by alanine scanning mutagenesis.EBI Eur J Med Chem 148: 210-220 (2018) Medical University of South Carolina 2D 3D TSV
29459278 3 Alkynyl-containing phenylthiazoles: Systemically active antibacterial agents effective against methicillin-resistant Staphylococcus aureus (MRSA).EBI Eur J Med Chem 148: 195-209 (2018) Al-Azhar University 2D 3D TSV
29459277 1 Targeting G-quadruplex DNA structures in the telomere and oncogene promoter regions by benzimidazole?carbazole ligands.EBI Eur J Med Chem 148: 178-194 (2018) Indian Institute of Science 2D 3D TSV
29459274 69 Design, synthesis and biological evaluation of tetrahydronaphthyridine derivatives as bioavailable CDK4/6 inhibitors for cancer therapy.EBI Eur J Med Chem 148: 140-153 (2018) Shanghai HaiHe Pharmaceutical, Co. Ltd 2D 3D TSV
29459207 50 A small group of sulfated benzofurans induces steady-state submaximal inhibition of thrombin.EBI Bioorg Med Chem Lett 28: 1101-1105 (2018) Virginia Commonwealth University 2D 3D TSV
29459206 30 Structure-based design and biological evaluation of inhibitors of the pseudomonas aeruginosa heme oxygenase (pa-HemO).EBI Bioorg Med Chem Lett 28: 1024-1029 (2018) University of Maryland 2D 3D TSV
29459145 29 Discovery of 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazoles as novel class of corticotropin releasing factor 1 receptor antagonists.EBI Bioorg Med Chem 26: 2229-2250 (2018) Takeda Pharmaceutical Company Ltd. 2D 3D TSV
29459144 4 Discovery of novel 4-aryl-thieno[1,4]diazepin-2-one derivatives targeting multiple protein kinases as anticancer agents.EBI Bioorg Med Chem 26: 1628-1637 (2018) Hanyang University 2D 3D TSV
29457982 80 Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.EBI J Med Chem 61: 2227-2245 (2018) Genentech 2D 3D TSV
29457898 6 Synthesis and Biological Evaluation of ( E)-4-Hydroxy-3-methylbut-2-enyl Phosphate (HMBP) Aryloxy Triester Phosphoramidate Prodrugs as Activators of V?9/V?2 T-Cell Immune Responses.EBI J Med Chem 61: 2111-2117 (2018) Cardiff University 2D 3D TSV
29456804 5 Biocompatible Boron-Containing Prodrugs of Belinostat for the Potential Treatment of Solid Tumors.EBI ACS Med Chem Lett 9: 149-154 (2018) Xavier University of Louisiana 2D 3D TSV
29456803 17 Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.EBI ACS Med Chem Lett 9: 143-148 (2018) Bristol-Myers Squibb 2D 3D TSV
29456802 4 HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes.EBI ACS Med Chem Lett 9: 137-142 (2018) University of California-Riverside 2D 3D TSV
29456801 52 Identification of Potent Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors Based on a Phenylimidazole Scaffold.EBI ACS Med Chem Lett 9: 131-136 (2018) University Health Network 2D 3D TSV
29456800 47 Discovery and in Vitro Optimization of 3-Sulfamoylbenzamides as ROMK Inhibitors.EBI ACS Med Chem Lett 9: 125-130 (2018) Pfizer Inc. 2D 3D TSV
29456799 30 From ROR?t Agonist to Two Types of ROR?t Inverse Agonists.EBI ACS Med Chem Lett 9: 120-124 (2018) Fudan University 2D 3D TSV
29456796 51 Discovery of Tetralones as Potent and Selective Inhibitors of Acyl-CoA:Diacylglycerol Acyltransferase 1.EBI ACS Med Chem Lett 9: 103-108 (2018) GlaxoSmithKline 2D 3D TSV
29456795 27 Discovery of EBI-2511: A Highly Potent and Orally Active EZH2 Inhibitor for the Treatment of Non-Hodgkin's Lymphoma.EBI ACS Med Chem Lett 9: 98-102 (2018) Shanghai Hengrui Pharmaceutical Co. Ltd. 2D 3D TSV
29456794 45 Discovery of 3,3'-Spiro[Azetidine]-2-oxo-indoline Derivatives as Fusion Inhibitors for Treatment of RSV Infection.EBI ACS Med Chem Lett 9: 94-97 (2018) WuXi AppTec (Shanghai) Co., Ltd 2D 3D TSV
29456793 72 Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains.EBI ACS Med Chem Lett 9: 89-93 (2018) Emory University 2D 3D TSV
29456792 42 -Leucinyl Benzenesulfonamides as Structurally Simplified Leucyl-tRNA Synthetase Inhibitors.EBI ACS Med Chem Lett 9: 84-88 (2018) Oxford Drug Design Ltd. 2D 3D TSV
29456791 22 Nonacidic Chemotype Possessing EBI ACS Med Chem Lett 9: 78-83 (2018) Hiroshima International University 2D 3D TSV
29456790 5 Late-Stage Microsomal Oxidation Reduces Drug-Drug Interaction and Identifies Phosphodiesterase 2A Inhibitor PF-06815189.EBI ACS Med Chem Lett 9: 68-72 (2018) Pfizer Inc. 2D 3D TSV
29456112 47 Discovery of DSP-1053, a novel benzylpiperidine derivative with potent serotonin transporter inhibitory activity and partial 5-HTEBI Bioorg Med Chem 26: 1614-1627 (2018) Sumitomo Dainippon Pharma CO., Ltd. 2D 3D TSV
29456111 1 Methyllucidone inhibits STAT3 activity by regulating the expression of the protein tyrosine phosphatase MEG2 in DU145 prostate carcinoma cells.EBI Bioorg Med Chem Lett 28: 853-857 (2018) Korea University of Science and Technology 2D 3D TSV
29456108 40 Discovery of N-arylpyrroles as agonists of GPR120 for the treatment of type II diabetes.EBI Bioorg Med Chem Lett 28: 841-846 (2018) Janssen Research and Development LLC 2D 3D TSV
29456107 25 Design, synthesis, and discovery of 5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-triones and related derivatives as novel inhibitors of mPGES-1.EBI Bioorg Med Chem Lett 28: 858-862 (2018) University of Kentucky 2D 3D TSV
29456106 19 Design, synthesis and anticancer activities evaluation of novel 5H-dibenzo[b,e]azepine-6,11-dione derivatives containing 1,3,4-oxadiazole units.EBI Bioorg Med Chem Lett 28: 847-852 (2018) China Medical University 2D 3D TSV
29454920 37 Design, synthesis and identification of silicon-containing HCV NS5A inhibitors with pan-genotype activity.EBI Eur J Med Chem 148: 95-105 (2018) Chia Tai Tianqing Pharmaceutical Group Co., LTD 2D 3D TSV
29454918 12 Design, synthesis, and biological evaluation of novel amide and hydrazide based thioether analogs targeting Histone deacteylase (HDAC) enzymes.EBI Eur J Med Chem 148: 73-85 (2018) Ahram Canadian University 2D 3D TSV
29454915 5 Synthesis of N-(1-(6-acetamido-5-phenylpyrimidin-4-yl) piperidin-3-yl) amide derivatives as potential inhibitors for mitotic kinesin spindle protein.EBI Eur J Med Chem 148: 106-115 (2018) Alagappa University 2D 3D TSV
29454190 44 Potholing of the hydrophobic heme oxygenase-1 western region for the search of potent and selective imidazole-based inhibitors.EBI Eur J Med Chem 148: 54-62 (2018) University of Catania 2D 3D TSV
29453135 99 Dual inhibitors of the pro-survival proteins Bcl-2 and Mcl-1 derived from natural compound meiogynin A.EBI Eur J Med Chem 148: 26-38 (2018) Universit£ Paris-Saclay 2D 3D TSV
29453094 19 A multidisciplinary study of 3-(?-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.EBI Eur J Med Chem 147: 266-278 (2018) University of Debrecen 2D 3D TSV
29452839 82 Development of selective inhibitors for the treatment of rheumatoid arthritis: (R)-3-(3-(Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)-3-oxopropanenitrile as a JAK1-selective inhibitor.EBI Bioorg Med Chem 26: 1495-1510 (2018) Seoul National University 2D 3D TSV
29451794 20 ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.EBI J Med Chem 61: 2124-2130 (2018) University of Siena 2D 3D TSV
29451785 45 Structure-Function Evaluation of Imidazopyridine Derivatives Selective for ?-Subunit-Containing ?-Aminobutyric Acid Type A (GABAEBI J Med Chem 61: 1951-1968 (2018) Johannes Gutenberg University Mainz 2D 3D TSV
29449124 18 Investigating PKA-RII specificity using analogs of the PKA:AKAP peptide inhibitor STAD-2.EBI Bioorg Med Chem 26: 1174-1178 (2018) University of Georgia 2D 3D TSV
29448139 117 Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.EBI Eur J Med Chem 147: 238-252 (2018) Guangzhou Medical University 2D 3D TSV
29446948 82 A Structure-Activity Relationship Study of Bitopic NEBI J Med Chem 61: 2087-2103 (2018) Monash University 2D 3D TSV
29446942 98 Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR)?/?/? Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate.EBI J Med Chem 61: 2246-2265 (2018) Inventiva 2D 3D TSV
29442501 3 Exploiting the S4-S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis.EBI J Med Chem 61: 1858-1870 (2018) University of Tours 2D 3D TSV
29439916 1 New histone demethylase LSD1 inhibitor selectively targets teratocarcinoma and embryonic carcinoma cells.EBI Bioorg Med Chem 26: 1523-1537 (2018) University of Nevada 2D 3D TSV
29439915 18 Probing biological activity through structural modelling of ligand-receptor interactions of 2,4-disubstituted thiazole retinoids.EBI Bioorg Med Chem 26: 1560-1572 (2018) Helwan University 2D 3D TSV
29439904 91 Discovery of morpholine-based aryl sulfonamides as NaEBI Bioorg Med Chem Lett 28: 958-962 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29439902 1 MF-8, a novel promising arylpiperazine-hydantoin based 5-HTEBI Bioorg Med Chem Lett 28: 878-883 (2018) Jagiellonian University Medical College 2D 3D TSV
29438891 50 Synthesis and pharmacological evaluation of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as sigma-2 receptor ligands.EBI Eur J Med Chem 147: 227-237 (2018) Guangdong Medical University 2D 3D TSV
29438888 12 Tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one scaffold derivatives: Synthesis and biological evaluation as selective BuChE inhibitors.EBI Eur J Med Chem 147: 194-204 (2018) Anhui Medical University 2D 3D TSV
29438612 70 High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.EBI J Med Chem 61: 1934-1950 (2018) Zhejiang University 2D 3D TSV
29437386 111 Tozasertib Analogues as Inhibitors of Necroptotic Cell Death.EBI J Med Chem 61: 1895-1920 (2018) University of Antwerp 2D 3D TSV
29433930 14 Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.EBI Bioorg Med Chem Lett 28: 906-909 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29433928 15 Pharmacology and in vivo efficacy of pyridine-pyrimidine amides that inhibit microtubule polymerization.EBI Bioorg Med Chem Lett 28: 934-941 (2018) Frost Biologic, Inc. 2D 3D TSV
29433927 29 Novel nicotinamide analog as inhibitor of nicotinamide N-methyltransferase.EBI Bioorg Med Chem Lett 28: 922-925 (2018) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
29429833 4 Synthesis of polyozellin, a prolyl oligopeptidase inhibitor, and its structural revision.EBI Bioorg Med Chem Lett 28: 930-933 (2018) RIKEN CSRS 2D 3D TSV
29429832 77 Design and synthesis of 4-(2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-7-yl)-N-(5-(piperazin-1-ylmethyl)pyridine-2-yl)pyrimidin-2-amine as a highly potent and selective cyclin-dependent kinases 4 and 6 inhibitors and the discovery of structure-activity relationships.EBI Bioorg Med Chem Lett 28: 974-978 (2018) Beijing University of Technology 2D 3D TSV
29429576 9 In silico studies, synthesis and pharmacological evaluation to explore multi-targeted approach for imidazole analogues as potential cholinesterase inhibitors with neuroprotective role for Alzheimer's disease.EBI Bioorg Med Chem 26: 1511-1522 (2018) Prin. K. M. Kundnani College of Pharmacy 2D 3D TSV
29428527 9 Discovery of chromenes as inhibitors of macrophage migration inhibitory factor.EBI Bioorg Med Chem 26: 999-1005 (2018) University of Groningen 2D 3D TSV
29427906 19 Synthesis and biological evaluation of novel quinazoline-4-piperidinesulfamide derivatives as inhibitors of NPP1.EBI Eur J Med Chem 147: 130-149 (2018) Universit£ Laval 2D 3D TSV
29426771 17 Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX) inhibitors.EBI Bioorg Med Chem Lett 28: 952-957 (2018) National Research Centre 2D 3D TSV
29426770 8 Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine ?-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation.EBI Bioorg Med Chem Lett 28: 1111-1115 (2018) Amgen Inc. 2D 3D TSV
29426768 4 O6C-20-nor-salvinorin A is a stable and potent KOR agonist.EBI Bioorg Med Chem Lett 28: 2770-2772 (2018) The Scripps Research Institute 2D 3D TSV
29426628 3 Design, synthesis, and biological evaluation of inhibitors of the NADPH oxidase, Nox4.EBI Bioorg Med Chem 26: 989-998 (2018) Emory University 2D 3D TSV
29425816 6 Recent updates for designing CCR5 antagonists as anti-retroviral agents.EBI Eur J Med Chem 147: 115-129 (2018) Nirma University 2D 3D TSV
29425815 76 Computer-aided insights into receptor-ligand interaction for novel 5-arylhydantoin derivatives as serotonin 5-HTEBI Eur J Med Chem 147: 102-114 (2018) Jagiellonian University Medical College 2D 3D TSV
29425443 70 Tumor Targeting with Novel Pyridyl 6-Substituted Pyrrolo[2,3- d]Pyrimidine Antifolates via Cellular Uptake by Folate Receptor ? and the Proton-Coupled Folate Transporter and Inhibition of De Novo Purine Nucleotide Biosynthesis.EBI J Med Chem 61: 2027-2040 (2018) Duquesne University 2D 3D TSV
29425031 104 Selective Inhibitors of Human Neuraminidase 3.EBI J Med Chem 61: 1990-2008 (2018) University of Alberta 2D 3D TSV
29424542 138 Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.EBI J Med Chem 61: 1785-1799 (2018) AstraZeneca 2D 3D TSV
29422390 3 Novel naftopidil derivatives containing methyl phenylacetate and their blocking effects on ?EBI Bioorg Med Chem Lett 28: 547-551 (2018) Guangzhou Medical University 2D 3D TSV
29422387 157 Discovery of novel potent HCV NS5B polymerase non-nucleoside inhibitors bearing a fused benzofuran scaffold.EBI Bioorg Med Chem Lett 28: 963-968 (2018) Presidio Pharmaceuticals, Inc. 2D 3D TSV
29422332 51 Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGF?RI).EBI Bioorg Med Chem 26: 1026-1034 (2018) Bristol-Myers Squibb Company 2D 3D TSV
29421573 13 6,7-Dimorpholinoalkoxy quinazoline derivatives as potent EGFR inhibitors with enhanced antiproliferative activities against tumor cells.EBI Eur J Med Chem 147: 77-89 (2018) Shaanxi Normal University 2D 3D TSV
29421570 28 Design, synthesis and pharmacological evaluation of N-benzyl-piperidinyl-aryl-acylhydrazone derivatives as donepezil hybrids: Discovery of novel multi-target anti-alzheimer prototype drug candidates.EBI Eur J Med Chem 147: 48-65 (2018) Federal University of Alfenas 2D 3D TSV
29421567 7 Targeting polyamine transport in Trypanosoma cruzi.EBI Eur J Med Chem 147: 1-6 (2018) Universidad de Buenos Aires 2D 3D TSV
29412659 15 Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Agonists as Potential Small Molecule Therapeutics for Cancer Immunotherapy.EBI J Med Chem 61: 5794-5804 (2018) Fudan University 2D 3D TSV
29409752 3 Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.EBI Bioorg Med Chem Lett 28: 577-583 (2018) University of Houston 2D 3D TSV
29409708 9 Fluorous-tag assisted synthesis of a glycosaminoglycan mimetic tetrasaccharide as a high-affinity FGF-2 and midkine ligand.EBI Bioorg Med Chem 26: 1076-1085 (2018) CSIC and Universidad de Sevilla 2D 3D TSV
29409707 6 Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment.EBI Bioorg Med Chem 26: 1102-1115 (2018) Sichuan University 2D 3D TSV
29407994 4 Regioselective synthesis of 7-O-esters of the flavonolignan silibinin and SARs lead to compounds with overadditive neuroprotective effects.EBI Eur J Med Chem 146: 93-107 (2018) Julius-Maximilians-Universit£t W£rzburg 2D 3D TSV
29407991 13 Part III: Novel checkpoint kinase 2 (Chk2) inhibitors; design, synthesis and biological evaluation of pyrimidine-benzimidazole conjugates.EBI Eur J Med Chem 146: 687-708 (2018) National Research Centre 2D 3D TSV
29407989 38 Design, synthesis and biological evaluation of 1-hydroxy-2-phenyl-4-pyridyl-1H-imidazole derivatives as xanthine oxidase inhibitors.EBI Eur J Med Chem 146: 668-677 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29407987 115 Ridaifen-F conjugated with cell-penetrating peptides inhibits intracellular proteasome activities and induces drug-resistant cell death.EBI Eur J Med Chem 146: 636-650 (2018) Nagahama Institute of Bio-Science and Technology 2D 3D TSV
29407977 30 Effects of rigidity on the selectivity of protein kinase inhibitors.EBI Eur J Med Chem 146: 519-528 (2018) University of Southern California 2D 3D TSV
29407974 39 Structure activity relationships, multidrug resistance reversal and selectivity of heteroarylphenyl ABCG2 inhibitors.EBI Eur J Med Chem 146: 483-500 (2018) Rheinische Friedrich-Wilhelms-Universit£t Bonn 2D 3D TSV
29407973 35 Small-molecule Mcl-1 inhibitors: Emerging anti-tumor agents.EBI Eur J Med Chem 146: 471-482 (2018) Hunan Provinc 2D 3D TSV
29407972 160 Structural investigations on coumarins leading to chromeno[4,3-c]pyrazol-4-ones and pyrano[4,3-c]pyrazol-4-ones: New scaffolds for the design of the tumor-associated carbonic anhydrase isoforms IX and XII.EBI Eur J Med Chem 146: 47-59 (2018) Universit£ degli Studi di Firenze 2D 3D TSV
29407971 15 Design, synthesis and biological evaluation of novel 4-aminoquinazolines as dual target inhibitors of EGFR-PI3K?.EBI Eur J Med Chem 146: 460-470 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29407970 1 High anticancer potency on tumor cells of dehydroabietylamine Schiff-base derivatives and a copper(II) complex.EBI Eur J Med Chem 146: 451-459 (2018) Nanjing Forestry University 2D 3D TSV
29407968 28 Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.EBI Eur J Med Chem 146: 423-434 (2018) University of Modena and Reggio Emilia 2D 3D TSV
29407965 59 Novel butanehydrazide derivatives of purine-2,6-dione as dual PDE4/7 inhibitors with potential anti-inflammatory activity: Design, synthesis and biological evaluation.EBI Eur J Med Chem 146: 381-394 (2018) Jagiellonian University 2D 3D TSV
29407963 47 Identification of novel NEBI Eur J Med Chem 146: 368-380 (2018) Zhuhai Campus of Zunyi Medical University 2D 3D TSV
29407960 67 An overview on crystal structures of InhA protein: Apo-form, in complex with its natural ligands and inhibitors.EBI Eur J Med Chem 146: 318-343 (2018) CNRS 2D 3D TSV
29407959 82 The selectivity and bioavailability improvement of novel oral anticoagulants: An overview.EBI Eur J Med Chem 146: 299-317 (2018) Hefei University of Technology 2D 3D TSV
29407958 15 Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 146: 287-298 (2018) Jiangxi University of Traditional Chinese Medicine 2D 3D TSV
29407956 14 Design, synthesis, mechanistic and histopathological studies of small-molecules of novel indole-2-carboxamides and pyrazino[1,2-a]indol-1(2H)-ones as potential anticancer agents effecting the reactive oxygen species production.EBI Eur J Med Chem 146: 260-273 (2018) Aljouf University 2D 3D TSV
29407955 2 Discovery of a Keap1-dependent peptide PROTAC to knockdown Tau by ubiquitination-proteasome degradation pathway.EBI Eur J Med Chem 146: 251-259 (2018) China Pharmaceutical University 2D 3D TSV
29407953 38 Design, semisynthesis, ?-glucosidase inhibitory, cytotoxic, and antibacterial activities of p-terphenyl derivatives.EBI Eur J Med Chem 146: 232-244 (2018) Ocean University of China 2D 3D TSV
29407952 62 Discovery of C-1 modified oseltamivir derivatives as potent influenza neuraminidase inhibitors.EBI Eur J Med Chem 146: 220-231 (2018) Shandong University 2D 3D TSV
29407951 11 Design, synthesis and biological evaluation of novel indole-benzimidazole hybrids targeting estrogen receptor alpha (ER-?).EBI Eur J Med Chem 146: 206-219 (2018) Central University of Punjab 2D 3D TSV
29407948 17 Rational design, chemical synthesis and biological evaluation of novel biguanides exploring species-specificity responsiveness of TAAR1 agonists.EBI Eur J Med Chem 146: 171-184 (2018) University of Genoa 2D 3D TSV
29407945 5 Synthesis and biological evaluation of pyridazinone derivatives as potential anti-inflammatory agents.EBI Eur J Med Chem 146: 139-146 (2018) Universit£ de Reims Champagne-Ardenne 2D 3D TSV
29407943 22 First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents.EBI Eur J Med Chem 146: 108-122 (2018) University of Barcelona 2D 3D TSV
29407591 276 Novel multi-target azinesulfonamides of cyclic amine derivatives as potential antipsychotics with pro-social and pro-cognitive effects.EBI Eur J Med Chem 145: 790-804 (2018) Jagiellonian University Medical College 2D 3D TSV
29407590 73 Alkyl indole-based cannabinoid type 2 receptor tools: Exploration of linker and fluorophore attachment.EBI Eur J Med Chem 145: 770-789 (2018) University of Otago 2D 3D TSV
29406702 128 Discovery of Novel 1-Cyclopentenyl-3-phenylureas as Selective, Brain Penetrant, and Orally Bioavailable CXCR2 Antagonists.EBI J Med Chem 61: 2518-2532 (2018) GSK Pharmaceuticals R & D 2D 3D TSV
29405714 4 Metabolomics-Guided Discovery of Microginin Peptides from Cultures of the Cyanobacterium Microcystis aeruginosa.EBI J Nat Prod 81: 349-355 (2018) University of North Carolina Wilmington 2D 3D TSV
29402740 4 Synthesis of novel multivalent fluorescent inhibitors with high affinity to prostate cancer and their biological evaluation.EBI Bioorg Med Chem Lett 28: 572-576 (2018) Yonsei University College of Medicine 2D 3D TSV
29402611 58 Structure-activity studies of a macrocyclic peptide inhibitor of histone lysine demethylase 4A.EBI Bioorg Med Chem 26: 1225-1231 (2018) The University of Tokyo 2D 3D TSV
29400966 23 Mucroniferanines A-G, Isoquinoline Alkaloids from Corydalis mucronifera.EBI J Nat Prod 81: 364-370 (2018) Peking University 2D 3D TSV
29400965 83 Structure-Activity Relationships and Computational Investigations into the Development of Potent and Balanced Dual-Acting Butyrylcholinesterase Inhibitors and Human Cannabinoid Receptor 2 Ligands with Pro-Cognitive in Vivo Profiles.EBI J Med Chem 61: 1646-1663 (2018) Julius Maximilian University of W£rzburg 2D 3D TSV
29400470 41 The Discovery of N-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((6- ((methylamino)methyl)pyrimidin-4-yl)oxy)-1H-indole-1-carboxamide (Acrizanib), a VEGFR-2 Inhibitor Specifically Designed for Topical Ocular Delivery, as a Therapy for Neovascular Age-Related Macular Degeneration.EBI J Med Chem 61: 1622-1635 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29398545 20 Structural development of tetrachlorophthalimides as liver X receptor ? (LXR?)-selective agonists with improved aqueous solubility.EBI Bioorg Med Chem Lett 28: 796-801 (2018) The University of Tokyo 2D 3D TSV
29398544 11 A multicomponent approach in the discovery of indoleamine 2,3-dioxygenase 1 inhibitors: Synthesis, biological investigation and docking studies.EBI Bioorg Med Chem Lett 28: 651-657 (2018) Universit£ del Piemonte Orientale 2D 3D TSV
29398543 23 Development of a series of novel o-phenylenediamine-based indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.EBI Bioorg Med Chem Lett 28: 732-736 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29398541 4 Semisynthesis and biological evaluation of a cotylenin A mimic derived from fusicoccin A.EBI Bioorg Med Chem Lett 28: 646-650 (2018) Osaka University 2D 3D TSV
29398539 8 Synthesis, kinetics and inhibition of Escherichia coli Heptosyltransferase I by monosaccharide analogues of Lipid A.EBI Bioorg Med Chem Lett 28: 594-600 (2018) Wesleyan University 2D 3D TSV
29398443 2 2-Formyl-komarovicine promotes adiponectin production in human mesenchymal stem cells through PPAR? partial agonism.EBI Bioorg Med Chem 26: 1069-1075 (2018) Seoul National University 2D 3D TSV
29398442 46 Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region.EBI Bioorg Med Chem 26: 1035-1049 (2018) Seoul National University 2D 3D TSV
29398441 111 Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.EBI Bioorg Med Chem 26: 913-924 (2018) AstraZeneca 2D 3D TSV
29397723 267 Increased Potency and Selectivity for Group III Metabotropic Glutamate Receptor Agonists Binding at Dual sites.EBI J Med Chem 61: 1969-1989 (2018) University of Paris 2D 3D TSV
29397718 132 Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.EBI J Med Chem 61: 1921-1933 (2018) CSIRO Manufacturing 2D 3D TSV
29396364 16 Spirohydantoins and 1,2,4-triazole-3-carboxamide derivatives as inhibitors of histone deacetylase: Design, synthesis, and biological evaluation.EBI Eur J Med Chem 146: 79-92 (2018) Minia University 2D 3D TSV
29396363 44 Novel inhibitors of the rRNA ErmC' methyltransferase to block resistance to macrolides, lincosamides, streptogramine B antibiotics.EBI Eur J Med Chem 146: 60-67 (2018) International Institute of Molecular and Cell Biology 2D 3D TSV
29395980 84 Synthesis and biological evaluation of a series of novel pyridinecarboxamides as potential multi-receptor antipsychotic drugs.EBI Bioorg Med Chem Lett 28: 606-611 (2018) University of Chinese Academy of Sciences 2D 3D TSV
29395973 1 Design and synthesis of novel dasatinib derivatives as inhibitors of leukemia stem cells.EBI Bioorg Med Chem Lett 28: 700-706 (2018) Tianjin international Joint Academy of BioMedicine 2D 3D TSV
29395970 18 Selective inhibition of monoamine oxidase A by hispidol.EBI Bioorg Med Chem Lett 28: 584-588 (2018) Sunchon National University 2D 3D TSV
29389122 10 Cyclizidine-Type Alkaloids from Streptomyces sp. HNA39.EBI J Nat Prod 81: 394-399 (2018) Zhejiang University 2D 3D TSV
29385334 34 New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model.EBI J Med Chem 61: 1595-1608 (2018) University of Belgrade 2D 3D TSV
29384668 249 Dual Nicotinic Acetylcholine Receptor ?4?2 Antagonists/?7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts.EBI J Med Chem 61: 1719-1729 (2018) University of Copenhagen 2D 3D TSV
29381358 65 3-((R)-4-(((R)-6-(2-Bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholin-2-yl)propanoic Acid (HEC72702), a Novel Hepatitis B Virus Capsid Inhibitor Based on Clinical Candidate GLS4.EBI J Med Chem 61: 1355-1374 (2018) HEC Pharma Group 2D 3D TSV
29381070 2 Probing the Antiallergic and Anti-inflammatory Activity of Biflavonoids and Dihydroflavonols from Dietes bicolor.EBI J Nat Prod 81: 243-253 (2018) Ain Shams University 2D 3D TSV
29375750 6 Structure-Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors.EBI ACS Med Chem Lett 8: 1183-1187 (2017) Institute for Research in Cancer and Allied Diseases 2D 3D TSV
29373271 36 Synthesis, biological evaluation and docking study of a new series of di-substituted benzoxazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents.EBI Bioorg Med Chem 26: 891-902 (2018) Delhi Institute of Pharmaceutical Sciences and Research (DIPSAR) 2D 3D TSV
29373269 28 Surrogating and redirection of pyrazolo[1,5-a]pyrimidin-7(4H)-one core, a novel class of potent and selective DPP-4 inhibitors.EBI Bioorg Med Chem 26: 903-912 (2018) Shanghai Jiao Tong University 2D 3D TSV
29370702 41 Discovery and Preclinical Development of IIIM-290, an Orally Active Potent Cyclin-Dependent Kinase Inhibitor.EBI J Med Chem 61: 1664-1687 (2018) CSIR-Indian Institute of Integrative Medicine 2D 3D TSV
29366653 71 Discovery of selective 2,4-diaminoquinazoline toll-like receptor 7 (TLR 7) agonists.EBI Bioorg Med Chem Lett 28: 711-719 (2018) Janssen Infectious Diseases Diagnostics BVBA 2D 3D TSV
29366648 98 Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 28: 762-768 (2018) University of California Davis 2D 3D TSV
29366646 27 Identification of novel plasminogen activator inhibitor-1 inhibitors with improved oral bioavailability: Structure optimization of N-acylanthranilic acid derivatives.EBI Bioorg Med Chem Lett 28: 809-813 (2018) Hamari Chemicals, Ltd. 2D 3D TSV
29364664 26 Binding-Site Compatible Fragment Growing Applied to the Design of ?EBI J Med Chem 61: 1118-1129 (2018) Philipps-University Marburg 2D 3D TSV
29363967 11 Novel Phosphodiesterase Inhibitors for Cognitive Improvement in Alzheimer's Disease.EBI J Med Chem 61: 5467-5483 (2018) Sun Yat-sen University 2D 3D TSV
29360044 47 Development of novel oxazolo[5,4-d]pyrimidines as competitive CBEBI Eur J Med Chem 146: 68-78 (2018) Univ. Lille 2D 3D TSV
29359565 24 Discovery of the First Potent, Selective, and Orally Bioavailable Signal Peptide Peptidase-Like 2a (SPPL2a) Inhibitor Displaying Pronounced Immunomodulatory Effects In Vivo.EBI J Med Chem 61: 865-880 (2018) The Genomics Institute of the Novartis Research Foundation 2D 3D TSV
29358147 24 Synthesis and biological evaluation of aurora kinases inhibitors based on N-trisubstituted pyrimidine scaffold.EBI Eur J Med Chem 145: 805-812 (2018) Sun Yat-sen University 2D 3D TSV
29358027 3 Design, synthesis and biological evaluation of new carbazole derivatives as anti-cancer and anti-migratory agents.EBI Bioorg Med Chem 26: 884-890 (2018) University of Puerto Rico 2D 3D TSV
29357250 80 Discovery of 4-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-carboxamide (FN-1501), an FLT3- and CDK-Kinase Inhibitor with Potentially High Efficiency against Acute Myelocytic Leukemia.EBI J Med Chem 61: 1499-1518 (2018) China Pharmaceutical University 2D 3D TSV
29353726 19 Tetrahydroacridine derivatives with dichloronicotinic acid moiety as attractive, multipotent agents for Alzheimer's disease treatment.EBI Eur J Med Chem 145: 760-769 (2018) Medical University of Lodz 2D 3D TSV
29353724 24 Discovery of biphenyl-substituted diarylpyrimidines as non-nucleoside reverse transcriptase inhibitors with high potency against wild-type and mutant HIV-1.EBI Eur J Med Chem 145: 726-734 (2018) Fudan University 2D 3D TSV
29353723 7 Bysspectin A, an unusual octaketide dimer and the precursor derivatives from the endophytic fungus Byssochlamys spectabilis IMM0002 and their biological activities.EBI Eur J Med Chem 145: 717-725 (2018) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
29353721 63 Design, synthesis, and biological evaluation of novel catecholopyrimidine based PDE4 inhibitor for the treatment of atopic dermatitis.EBI Eur J Med Chem 145: 673-690 (2018) Seoul National University 2D 3D TSV
29351887 5 Synthesis and anti-tumor activity of EF24 analogues as IKK? inhibitors.EBI Eur J Med Chem 144: 218-228 (2018) The First Affiliated Hospital of Wenzhou Medical University 2D 3D TSV
29350927 102 Synthesis and Pharmacological Characterization of C4EBI J Med Chem 61: 2303-2328 (2018) TBA 2D 3D TSV
29350534 211 Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.EBI J Med Chem 61: 946-979 (2018) Emory University 2D 3D TSV
29348811 17 Disconnecting the Estrogen Receptor Binding Properties and Antimicrobial Properties of Parabens through 3,5-Substitution.EBI ACS Med Chem Lett 9: 51-55 (2018) Longwood University 2D 3D TSV
29348809 1 Discovery of MK-8722: A Systemic, Direct Pan-Activator of AMP-Activated Protein Kinase.EBI ACS Med Chem Lett 9: 39-44 (2018) Merck Research Laboratories 2D 3D TSV
29348808 35 Dual NAMPT/HDAC Inhibitors as a New Strategy for Multitargeting Antitumor Drug Discovery.EBI ACS Med Chem Lett 9: 34-38 (2018) Second Military Medical University 2D 3D TSV
29348807 32 Discovery of Spiro Oxazolidinediones as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases.EBI ACS Med Chem Lett 9: 28-33 (2018) AbbVie, Inc. 2D 3D TSV
29348805 56 Synthesis and SAR of 1,2,3,4-Tetrahydroisoquinoline-Based CXCR4 Antagonists.EBI ACS Med Chem Lett 9: 17-22 (2018) Emory University 2D 3D TSV
29348803 5 Synthesis of a Chloroalkene Dipeptide Isostere-Containing Peptidomimetic and Its Biological Application.EBI ACS Med Chem Lett 9: 6-10 (2018) Tokyo Medical and Dental University 2D 3D TSV
29348072 3 Structure-based development of an osteoprotegerin-like glycopeptide that blocks RANKL/RANK interactions and reduces ovariectomy-induced bone loss in mice.EBI Eur J Med Chem 145: 661-672 (2018) Second Military Medical University 2D 3D TSV
29348070 19 Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.EBI Eur J Med Chem 145: 606-621 (2018) Pfizer Inc. 2D 3D TSV
29345930 21 ?-Amino-?-carboxymuconate-?-semialdehyde Decarboxylase (ACMSD) Inhibitors as Novel Modulators of De Novo Nicotinamide Adenine Dinucleotide (NADEBI J Med Chem 61: 745-759 (2018) TES Pharma S.r.l. 2D 3D TSV
29342416 54 Identification of novel quinazolinedione derivatives as ROR?t inverse agonist.EBI Bioorg Med Chem 26: 721-736 (2018) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
29341607 5 In Vitro Pharmacokinetic Optimizations of AM2-S31N Channel Blockers Led to the Discovery of Slow-Binding Inhibitors with Potent Antiviral Activity against Drug-Resistant Influenza A Viruses.EBI J Med Chem 61: 1074-1085 (2018) The University of Arizona 2D 3D TSV
29339253 55 Design, synthesis and bioevalucation of novel 2,3-dihydro-1H-inden-1-amine derivatives as potent and selective human monoamine oxidase B inhibitors based on rasagiline.EBI Eur J Med Chem 145: 588-593 (2018) Hefei University of Technology 2D 3D TSV
29339252 124 Structure-based design of human immuno- and constitutive proteasomes inhibitors.EBI Eur J Med Chem 145: 570-587 (2018) Universit£ Rennes 1 2D 3D TSV
29338910 6 Synthesis of deuterium-labelled analogues of NLRP3 inflammasome inhibitor MCC950.EBI Bioorg Med Chem Lett 28: 793-795 (2018) The University of Queensland 2D 3D TSV
29338909 12 Essential structure of orexin 1 receptor antagonist YNT-707, Part II: Drastic effect of the 14-hydroxy group on the orexin 1 receptor antagonistic activity.EBI Bioorg Med Chem Lett 28: 774-777 (2018) University of Tsukuba 2D 3D TSV
29336874 4 Regioselectivity of thiouracil alkylation: Application to optimization of Darapladib synthesis.EBI Bioorg Med Chem Lett 28: 787-792 (2018) Universit£ de La R£union 2D 3D TSV
29336873 4 Optimization of novel monobactams with activity against carbapenem-resistant Enterobacteriaceae - Identification of LYS228.EBI Bioorg Med Chem Lett 28: 748-755 (2018) Novartis Institutes for BioMedical Research 2D 3D TSV
29335214 10 Inávivo potent BM635 analogue with improved drug-like properties.EBI Eur J Med Chem 145: 539-550 (2018) Sapienza University of Rome 2D 3D TSV
29335212 2 Synthesis and biological evaluation of novel bavachinin analogs as anticancer agents.EBI Eur J Med Chem 145: 511-523 (2018) CSIR-Indian Institute of Integrative Medicine 2D 3D TSV
29335209 16 Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors.EBI Eur J Med Chem 145: 431-444 (2018) University of S£o Paulo 2D 3D TSV
29335207 52 Synthesis and biological evaluation of 3-(2-aminoethyl) uracil derivatives as gonadotropin-releasing hormone (GnRH) receptor antagonists.EBI Eur J Med Chem 145: 413-424 (2018) TiumBio Company Ltd. 2D 3D TSV
29335205 70 Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors.EBI Eur J Med Chem 145: 389-403 (2018) Chinese Academy of Sciences 2D 3D TSV
29331754 9 Synthesis and bioevaluation and doking study of 1H-pyrrolo[2,3-b]pyridine derivatives bearing aromatic hydrazone moiety as c-Met inhibitors.EBI Eur J Med Chem 145: 315-327 (2018) Jiangxi Science & Technology Normal University 2D 3D TSV
29331452 9 Design, synthesis and evaluation of ?-turn mimetics as LSD1-selective inhibitors.EBI Bioorg Med Chem 26: 775-785 (2018) Kyoto Prefectural University of Medicine 2D 3D TSV
29331267 56 Identification and initial optimization of inhibitors of Clostridium difficile (C. difficile) toxin B (TcdB).EBI Bioorg Med Chem Lett 28: 756-761 (2018) Genesis Biotechnology Group 2D 3D TSV
29329830 2 Theoretical research in structure characteristics of different inhibitors and differences of binding modes with CBP bromodomain.EBI Bioorg Med Chem 26: 712-720 (2018) Jilin University 2D 3D TSV
29329790 19 Plant-derived mPGES-1 inhibitors or suppressors: A new emerging trend in the search for small molecules to combat inflammation.EBI Eur J Med Chem 153: 2-28 (2018) Abdul Wali Khan University Mardan 2D 3D TSV
29329658 63 Novel compounds with potent CDK9 inhibitory activity for the treatment of myeloma.EBI Bioorg Med Chem Lett 28: 769-773 (2018) Semmelweis University 2D 3D TSV
29329072 151 Development of potent and proteolytically stable human neuromedin U receptor agonists.EBI Eur J Med Chem 144: 887-897 (2018) Vrije Universiteit Brussel 2D 3D TSV
29329002 5 Integration of multi-scale molecular modeling approaches with experiments for the in silico guided design and discovery of novel hERG-Neutral antihypertensive oxazalone and imidazolone derivatives and analysis of their potential restrictive effects on cell proliferation.EBI Eur J Med Chem 145: 273-290 (2018) Bahcesehir University (BAU) 2D 3D TSV
29328999 4 Discovery of novel piperonyl derivatives as diapophytoene desaturase inhibitors for the treatment of methicillin-, vancomycin- and linezolid-resistant Staphylococcus aureus infections.EBI Eur J Med Chem 145: 235-251 (2018) East China University of Science and Technology 2D 3D TSV
29328660 8 X-ray Structures of Target-Ligand Complexes Containing Compounds with Assay Interference Potential.EBI J Med Chem 61: 1276-1284 (2018) Rheinische Friedrich-Wilhelms-Universit£t 2D 3D TSV
29328649 4 Phenylthiomethyl Ketone-Based Fragments Show Selective and Irreversible Inhibition of Enteroviral 3C Proteases.EBI J Med Chem 61: 1218-1230 (2018) Freie Universit£t Berlin 2D 3D TSV
29324345 122 Synthesis and biological evaluation of a series of multi-target N-substituted cyclic imide derivatives with potential antipsychotic effect.EBI Eur J Med Chem 145: 74-85 (2018) Shanghai Institute of Materia Medica 2D 3D TSV
29324342 37 Peramivir conjugates as orally available agents against influenza H275Y mutant.EBI Eur J Med Chem 145: 224-234 (2018) National Taiwan University 2D 3D TSV
29324339 115 Novel donepezil-like N-benzylpyridinium salt derivatives as AChE inhibitors and their corresponding dihydropyridine "bio-oxidizable" prodrugs: Synthesis, biological evaluation and structure-activity relationship.EBI Eur J Med Chem 145: 165-190 (2018) VFP Therapies 2D 3D TSV
29323899 120 Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.EBI J Med Chem 61: 2410-2421 (2018) Vanderbilt University School of Medicine 2D 3D TSV
29320176 8 Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).EBI J Med Chem 61: 1541-1551 (2018) Icahn School of Medicine at Mount Sinai 2D 3D TSV
29317150 27 Design, synthesis and evaluate of novel dual FGFR1 and HDAC inhibitors bearing an indazole scaffold.EBI Bioorg Med Chem 26: 747-757 (2018) Nanjing University of Chinese Medicine 2D 3D TSV
29317149 30 Phenylquinoline transient receptor potential vanilloid 1 antagonists for the treatment of pain: Discovery of 1-(2-phenylquinoline-4-carbonyl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxamide.EBI Bioorg Med Chem 26: 845-854 (2018) China Pharmaceutical University 2D 3D TSV
29317148 15 Discovery of EBI-1051: A novel and orally efficacious MEK inhibitor with benzofuran scaffold.EBI Bioorg Med Chem 26: 581-589 (2018) Shanghai Hengrui Pharmaceutical Co. Ltd. 2D 3D TSV
29316526 22 Part II: New candidates of pyrazole-benzimidazole conjugates as checkpoint kinase 2 (Chk2) inhibitors.EBI Eur J Med Chem 144: 859-873 (2018) National Research Centre 2D 3D TSV
29316397 47 Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists.EBI J Med Chem 61: 681-694 (2018) Bristol-Myers Squibb Co. 2D 3D TSV
29314840 32 Development of Stem-Cell-Mobilizing Agents Targeting CXCR4 Receptor for Peripheral Blood Stem Cell Transplantation and Beyond.EBI J Med Chem 61: 818-833 (2018) National Health Research Institutes 2D 3D TSV
29313684 18 Interfering with HuR-RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors.EBI J Med Chem 61: 1483-1498 (2018) Institute of Molecular Science and Technology (ISTM) 2D 3D TSV
29309142 36 Discovery of 1,5-Diphenylpyrazole-3-Carboxamide Derivatives as Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors.EBI J Med Chem 61: 1340-1354 (2018) University of Ferrara 2D 3D TSV
29308895 24 Highly Selective, Potent, and Oral mTOR Inhibitor for Treatment of Cancer as Autophagy Inducer.EBI J Med Chem 61: 881-904 (2018) Nankai University 2D 3D TSV
29306837 16 Glycogen synthase kinase-3 and its inhibitors: Potential target for various therapeutic conditions.EBI Eur J Med Chem 144: 843-858 (2018) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
29306546 52 Inhibition of protein tyrosine phosphatase 1B (PTP1B) and ?-glucosidase by xanthones from Cratoxylum cochinchinense, and their kinetic characterization.EBI Bioorg Med Chem 26: 737-746 (2018) Gyeongsang National University 2D 3D TSV
29305298 28 Discovery of new thienopyrimidine derivatives as potent and orally efficacious phosphoinositide 3-kinase inhibitors.EBI Bioorg Med Chem 26: 637-646 (2018) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
29305297 480 Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors.EBI Bioorg Med Chem 26: 675-687 (2018) Vilnius University 2D 3D TSV
29304284 59 (N-Hydroxycarbonylbenylamino)quinolines as Selective Histone Deacetylase 6 Inhibitors Suppress Growth of Multiple Myeloma in Vitro and in Vivo.EBI J Med Chem 61: 905-917 (2018) Taipei Medical University 2D 3D TSV
29301085 81 Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.EBI J Med Chem 61: 1061-1073 (2018) AstraZeneca 2D 3D TSV
29300477 16 Isolation of Flavonoids and Flavonoid Glycosides from Myrsine africana and Their Inhibitory Activities against Mushroom Tyrosinase.EBI J Nat Prod 81: 49-56 (2018) University of Pretoria 2D 3D TSV
29300474 45 Identification of Morpholino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones as Nonsteroidal Mineralocorticoid Antagonists.EBI J Med Chem 61: 1086-1097 (2018) Pfizer Inc 2D 3D TSV
29298069 206 Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.EBI J Med Chem 61: 1130-1152 (2018) Pfizer Inc 2D 3D TSV
29294275 7 Emerging New Targets for the Treatment of Resistant Fungal Infections.EBI J Med Chem 61: 5484-5511 (2018) Second Military Medical University 2D 3D TSV
29293004 12 Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate.EBI J Med Chem 61: 1001-1018 (2018) Pfizer Inc 2D 3D TSV
29293000 22 Recent Advances of Colony-Stimulating Factor-1 Receptor (CSF-1R) Kinase and Its Inhibitors.EBI J Med Chem 61: 5450-5466 (2018) University of Sharjah 2D 3D TSV
29291938 11 Identification of highly potent and orally available free fatty acid receptor 1 agonists bearing isoxazole scaffold.EBI Bioorg Med Chem 26: 703-711 (2018) Guangdong Pharmaceutical University 2D 3D TSV
29291937 40 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.EBI Bioorg Med Chem 26: 647-660 (2018) Takeda Pharmaceutical Company Limited 2D 3D TSV
29291935 77 Structural optimization of NEBI Bioorg Med Chem 26: 661-674 (2018) Universit£ degli Studi di Messina 2D 3D TSV
29291443 30 Prenylated flavonoids as potent phosphodiesterase-4 inhibitors from Morus alba: Isolation, modification, and structure-activity relationship study.EBI Eur J Med Chem 144: 758-766 (2018) Sun Yat-sen University 2D 3D TSV
29291439 74 Novel non-sulfonamide 5-HTEBI Eur J Med Chem 144: 716-729 (2018) Palack£ University 2D 3D TSV
29291438 46 Synthesis and antidepressant-like activity of novel aralkyl piperazine derivatives targeting SSRI/5-HTEBI Eur J Med Chem 144: 701-715 (2018) Shanghai Institute of Pharmaceutical Industry 2D 3D TSV
29291372 37 Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPase?4 Isoform Inhibitors for Male Contraception.EBI J Med Chem 61: 1800-1820 (2018) University of Minnesota 2D 3D TSV
29290109 21 Neutral Porphyrin Derivative Exerts Anticancer Activity by Targeting Cellular Topoisomerase I (Top1) and Promotes Apoptotic Cell Death without Stabilizing Top1-DNA Cleavage Complexes.EBI J Med Chem 61: 804-817 (2018) Ahmedabad University 2D 3D TSV
29289892 32 Discovery of novel high potent and cellular active ADC type PTP1B inhibitors with selectivity over TC-PTP via modification interacting with C site.EBI Eur J Med Chem 144: 692-700 (2018) Qilu University of Technology (Shandong Academy of Sciences) 2D 3D TSV
29289890 22 Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation.EBI Eur J Med Chem 144: 672-681 (2018) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
29289887 71 Novel click modifiable thioquinazolinones as anti-inflammatory agents: Design, synthesis, biological evaluation and docking study.EBI Eur J Med Chem 144: 635-650 (2018) Alexandria University 2D 3D TSV
29289886 6 Synthesis of (3S,4S,5S)-trihydroxylpiperidine derivatives as enzyme stabilizers to improve therapeutic enzyme activity in Fabry patient cell lines.EBI Eur J Med Chem 144: 626-634 (2018) National Yang-Ming University 2D 3D TSV
29289885 9 Structural and biological characterization of new hybrid drugs joining an HDAC inhibitor to different NO-donors.EBI Eur J Med Chem 144: 612-625 (2018) Goethe University 2D 3D TSV
29289880 25 Design, synthesis and biological evaluation of novel pyridine-thiazolidinone derivatives as anticancer agents: Targeting human carbonic anhydrase IX.EBI Eur J Med Chem 144: 544-556 (2018) Jamia Millia Islamia 2D 3D TSV
29289448 127 Development of dual casein kinase 1?/1? (CK1?/?) inhibitors for treatment of breast cancer.EBI Bioorg Med Chem 26: 590-602 (2018) Scripps Florida 2D 3D TSV
29288948 2 Design, synthesis, and biological evaluation of polo-like kinase 1/eukaryotic elongation factor 2 kinase (PLK1/EEF2K) dual inhibitors for regulating breast cancer cells apoptosis and autophagy.EBI Eur J Med Chem 144: 517-528 (2018) Sichuan University 2D 3D TSV
29288943 1 Design, synthesis and evaluation of novel phenyl propionamide derivatives as non-nucleoside hepatitis B virus inhibitors.EBI Eur J Med Chem 144: 424-434 (2018) Xuzhou Medical University 2D 3D TSV
29288942 16 A new family of densely functionalized fused-benzoquinones as potent human protein kinase CK2 inhibitors.EBI Eur J Med Chem 144: 410-423 (2018) Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN) 2D 3D TSV
29288941 25 Development of novel ?-carboline-based hydroxamate derivatives as HDAC inhibitors with antiproliferative and antimetastatic activities in human cancer cells.EBI Eur J Med Chem 144: 398-409 (2018) Nantong University 2D 3D TSV
29288940 40 Discovery of 2,4-diarylaminopyrimidines bearing a resorcinol motif as novel ALK inhibitors to overcome the G1202R resistant mutation.EBI Eur J Med Chem 144: 386-397 (2018) Shanghai Institute of Materia Medica (SIMM) 2D 3D TSV
29288071 16 Design and synthesis of a potent, highly selective, orally bioavailable, retinoic acid receptor alpha agonist.EBI Bioorg Med Chem 26: 798-814 (2018) King's College 2D 3D TSV
29287249 13 Multifunctional thiosemicarbazones and deconstructed analogues as a strategy to study the involvement of metal chelation, Sigma-2 (?EBI Eur J Med Chem 144: 359-371 (2018) Universit£ degli Studi di Bari ALDO MORO 2D 3D TSV
29284090 72 Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.EBI J Med Chem 61: 1164-1175 (2018) Lund University 2D 3D TSV
29283260 113 Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.EBI J Med Chem 61: 695-710 (2018) OncoArendi Therapeutics SA 2D 3D TSV
29279243 10 Antiobesity and emetic effects of a short-length peptide YY analog and its PEGylated and alkylated derivatives.EBI Bioorg Med Chem 26: 566-572 (2018) Takeda Pharmaceutical Company, Ltd. 2D 3D TSV
29277307 4 Synthesis and biological evaluation of 6-substituted-5-fluorouridine ProTides.EBI Bioorg Med Chem 26: 551-565 (2018) Cardiff University 2D 3D TSV
29277306 6 Design, synthesis, and evaluation of polyamine-memantine hybrids as NMDA channel blockers.EBI Bioorg Med Chem 26: 603-608 (2018) Hiroshima University 2D 3D TSV
29275233 10 Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.EBI Eur J Med Chem 144: 349-358 (2018) University of Perugia 2D 3D TSV
29275232 6 Discovery of anilino-furo[2,3-d]pyrimidine derivatives as dual inhibitors of EGFR/HER2 tyrosine kinase and their anticancer activity.EBI Eur J Med Chem 144: 330-348 (2018) Ain Shams University 2D 3D TSV
29275231 9 Development of inhibitors of receptor protein tyrosine phosphatase ?/? (PTPRZ1) as candidates for CNS disorders.EBI Eur J Med Chem 144: 318-329 (2018) Universidad San Pablo-CEU 2D 3D TSV
29275228 58 Naturally occurring Diels-Alder-type adducts from Morus nigra as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B.EBI Eur J Med Chem 144: 277-288 (2018) Universidade Federal de Santa Catarina 2D 3D TSV
29274704 13 Synthesis, structure-activity relationships, and mechanistic studies of 5-arylazo-tropolone derivatives as novel xanthine oxidase (XO) inhibitors.EBI Bioorg Med Chem 26: 536-542 (2018) Tohoku Medical and Pharmaceutical University 2D 3D TSV
29274493 22 1,3,5-triazaspiro[5.5]undeca-2,4-dienes as selective Mycobacterium tuberculosis dihydrofolate reductase inhibitors with potent whole cell activity.EBI Eur J Med Chem 144: 262-276 (2018) National University of Singapore 2D 3D TSV
29273417 26 An appraisal on synthetic and pharmaceutical perspectives of pyrazolo[4,3-d]pyrimidine scaffold.EBI Bioorg Med Chem 26: 309-339 (2018) University of KwaZulu-Natal 2D 3D TSV
29273415 15 Design, synthesis, and opioid activity of arodyn analogs cyclized by ring-closing metathesis involving Tyr(allyl).EBI Bioorg Med Chem 26: 1157-1161 (2018) University of Kansas 2D 3D TSV
29272750 15 Substrate-derived triazolo- and azapeptides as inhibitors of cathepsins K and S.EBI Eur J Med Chem 144: 201-210 (2018) CNRS UPR 4301 2D 3D TSV
29272749 126 Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools.EBI Eur J Med Chem 144: 179-200 (2018) University of Genoa 2D 3D TSV
29272110 5 Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.EBI J Med Chem 61: 724-733 (2018) University of Oxford 2D 3D TSV
29271657 7 In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-?-lactamase Inhibitors.EBI J Med Chem 61: 1255-1260 (2018) University of Leeds 2D 3D TSV
29271653 1 Inhibitors of HIV-1 Attachment: The Discovery and Development of Temsavir and its Prodrug Fostemsavir.EBI J Med Chem 61: 62-80 (2018) Bristol-Myers Squibb Research and Development 2D 3D TSV
29271204 95 Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.EBI J Med Chem 61: 1182-1203 (2018) Scynexis Inc 2D 3D TSV
29269256 38 5-HTEBI Bioorg Med Chem 26: 527-535 (2018) Medical University of Warsaw 2D 3D TSV
29268131 32 Antagonists of the adenosine AEBI Eur J Med Chem 144: 151-163 (2018) UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer 2D 3D TSV
29268129 14 Development of tacrine-bifendate conjugates with improved cholinesterase inhibitory and pro-cognitive efficacy and reduced hepatotoxicity.EBI Eur J Med Chem 144: 128-136 (2018) Henan University 2D 3D TSV
29268128 59 2-Substituted 7-trifluoromethyl-thiadiazolopyrimidones as alkaline phosphatase inhibitors. Synthesis, structure activity relationship and molecular docking study.EBI Eur J Med Chem 144: 116-127 (2018) Universit£t Rostock 2D 3D TSV
29268019 10 High Mobility Group Box-1 (HMGb1): Current Wisdom and Advancement as a Potential Drug Target.EBI J Med Chem 61: 5093-5107 (2018) The Feinstein Institute for Medical Research 2D 3D TSV
29266943 8 "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.EBI J Med Chem 61: 1176-1181 (2018) University of Florida 2D 3D TSV
29266937 36 Cyclin-Dependent Kinase 8: A New Hope in Targeted Cancer Therapy?EBI J Med Chem 61: 5073-5092 (2018) University of South Australia 2D 3D TSV
29262987 44 Discovery of orally efficacious ROR?t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.EBI Bioorg Med Chem 26: 483-500 (2018) Takeda Pharmaceutical Co., Ltd. 2D 3D TSV
29259758 26 SAR Studies of Indole-5-propanoic Acid Derivatives To Develop Novel GPR40 Agonists.EBI ACS Med Chem Lett 8: 1336-1340 (2017) Sungkyunkwan University 2D 3D TSV
29259756 32 VU6010608, a Novel mGluEBI ACS Med Chem Lett 8: 1326-1330 (2017) Vanderbilt University 2D 3D TSV
29259755 55 Discovery of JTZ-951: A HIF Prolyl Hydroxylase Inhibitor for the Treatment of Renal Anemia.EBI ACS Med Chem Lett 8: 1320-1325 (2017) Japan Tobacco Inc. 2D 3D TSV
29259754 76 Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.EBI ACS Med Chem Lett 8: 1314-1319 (2017) University of Florence 2D 3D TSV
29259753 70 Discovery of APD371: Identification of a Highly Potent and Selective CBEBI ACS Med Chem Lett 8: 1309-1313 (2017) Arena Pharmaceuticals 2D 3D TSV
29259752 1 Long-Lasting and Fast-Acting in Vivo Efficacious Antiplasmodial Azepanylcarbazole Amino Alcohol.EBI ACS Med Chem Lett 8: 1304-1308 (2017) Merck KGaA (Darmstadt, Germany) 2D 3D TSV
29259751 142 Design, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors.EBI ACS Med Chem Lett 8: 1298-1303 (2017) Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
29259750 4 Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.EBI ACS Med Chem Lett 8: 1292-1297 (2017) Merck & Co. Inc 2D 3D TSV
29259749 24 Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.EBI ACS Med Chem Lett 8: 1287-1291 (2017) Yale University 2D 3D TSV
29259748 32 Discovery of a Slow Tight Binding LPA1 Antagonist (ONO-0300302) for the Treatment of Benign Prostatic Hyperplasia.EBI ACS Med Chem Lett 8: 1281-1286 (2017) ONO Pharmaceutical Co., Ltd. 2D 3D TSV
29259745 29 Identification of an Indazole-Based Pharmacophore for the Inhibition of FGFR Kinases Using Fragment-Led EBI ACS Med Chem Lett 8: 1264-1268 (2017) University of Leeds 2D 3D TSV
29259744 30 HTS and Structure Based Optimization of Indazole-Derived ULK1 Inhibitors.EBI ACS Med Chem Lett 8: 1258-1263 (2017) The Scripps Research Institute 2D 3D TSV
29259743 52 Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.EBI ACS Med Chem Lett 8: 1252-1257 (2017) Boehringer Ingelheim Pharma GmbH & Co. KG 2D 3D TSV
29259742 54 Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH.EBI ACS Med Chem Lett 8: 1246-1251 (2017) WuXi AppTec (Shanghai) Co. Ltd 2D 3D TSV
29259741 47 2-Arylidene Hydrazinecarbodithioates as Potent, Selective Inhibitors of Cystathionine ?-Lyase (CSE).EBI ACS Med Chem Lett 8: 1241-1245 (2017) University of Illinois at Chicago 2D 3D TSV
29259738 74 Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.EBI ACS Med Chem Lett 8: 1224-1229 (2017) Vertex Pharmaceuticals Inc 2D 3D TSV
29259737 10 Novel Polyamine-Naphthalene Diimide Conjugates Targeting Histone Deacetylases and DNA for Cancer Phenotype Reprogramming.EBI ACS Med Chem Lett 8: 1218-1223 (2017) Alma Mater Studiorum-University of Bologna 2D 3D TSV
29259736 70 Synthesis of Novel Selenides Bearing Benzenesulfonamide Moieties as Carbonic Anhydrase I, II, IV, VII, and IX Inhibitors.EBI ACS Med Chem Lett 8: 1213-1217 (2017) University of Florence 2D 3D TSV
29259735 5 Ubiquitin-Specific Inhibitors for the Treatment of Cancers, Autoimmune, and Infectious Diseases.EBI ACS Med Chem Lett 8: 1211-1212 (2017) Usona Institute 2D 3D TSV
29258712 32 Discovery of orally efficacious ROR?t inverse agonists. Part 2: Design, synthesis, and biological evaluation of novel tetrahydroisoquinoline derivatives.EBI Bioorg Med Chem 26: 470-482 (2018) Takeda Pharmaceutical Company Limited 2D 3D TSV
29257884 75 Structure-Based Design, Synthesis, and In Vivo Antinociceptive Effects of Selective AEBI J Med Chem 61: 305-318 (2018) University of Camerino 2D 3D TSV
29256599 38 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of?-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.EBI J Med Chem 61: 251-264 (2018) University of Li£ge 2D 3D TSV
29254895 31 Current knowledge on the nucleotide agonists for the P2Y2 receptor.EBI Bioorg Med Chem 26: 366-375 (2018) China Pharmaceutical University 2D 3D TSV
29254894 18 2-Methyltetrahydro-3-benzazepin-1-ols - The missing link in SAR of GluN2B selective NMDA receptor antagonists.EBI Bioorg Med Chem 26: 501-508 (2018) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
29254892 18 Targeting protein-protein interaction between MLL1 and reciprocal proteins for leukemia therapy.EBI Bioorg Med Chem 26: 356-365 (2018) China Pharmaceutical University 2D 3D TSV
29254646 17 Dihydrobenzisoxazole-4-one compounds are novel selective inhibitors of aldosterone synthase (CYP11B2) with in vivo activity.EBI Bioorg Med Chem Lett 28: 979-984 (2018) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
29253340 29 Structure-Guided Synthesis and Mechanistic Studies Reveal Sweetspots on Naphthyl Salicyl Hydrazone Scaffold as Non-Nucleosidic Competitive, Reversible Inhibitors of Human Ribonucleotide Reductase.EBI J Med Chem 61: 666-680 (2018) Case Western Reserve University 2D 3D TSV
29251928 4 Comprehensive Synthesis of Amino Acid-Derived Thiazole Peptidomimetic Analogues to Understand the Enigmatic Drug/Substrate-Binding Site of P-Glycoprotein.EBI J Med Chem 61: 834-864 (2018) St. John's University 2D 3D TSV
29251924 4 Targeting Transcriptional Enhanced Associate Domains (TEADs).EBI J Med Chem 61: 5057-5072 (2018) Universities of Lille 2D 3D TSV
29249626 12 Discovery of novel scaffolds for ?-secretase modulators without an arylimidazole moiety.EBI Bioorg Med Chem 26: 435-442 (2018) Astellas Pharma Inc. 2D 3D TSV
29248751 36 Design, synthesis and biological assessment of new thiazolylhydrazine derivatives as selective and reversible hMAO-A inhibitors.EBI Eur J Med Chem 144: 68-81 (2018) Anadolu University 2D 3D TSV
29248353 17 ?-Methylation enhances the potency of isoprenoid triazole bisphosphonates as geranylgeranyl diphosphate synthase inhibitors.EBI Bioorg Med Chem 26: 376-385 (2018) University of Iowa 2D 3D TSV
29248295 4 NOTA analogue: A first dithiocarbamate inhibitor of metallo-?-lactamases.EBI Bioorg Med Chem Lett 28: 214-221 (2018) Zhengzhou University 2D 3D TSV
29247860 80 Structure-activity studies on N-Substituted tranylcypromine derivatives lead to selective inhibitors of lysine specific demethylase 1 (LSD1) and potent inducers of leukemic cell differentiation.EBI Eur J Med Chem 144: 52-67 (2018) University of Freiburg 2D 3D TSV
29247859 26 Synthesis and biological evaluation of novel 1-(aryl-aldehyde-oxime)uracil derivatives as a new class of thymidine phosphorylase inhibitors.EBI Eur J Med Chem 144: 41-51 (2018) Yunnan University 2D 3D TSV
29247857 102 A highly potent CDK4/6 inhibitor was rationally designed to overcome blood brain barrier in gliobastoma therapy.EBI Eur J Med Chem 144: 1-28 (2018) Beijing Normal University 2D 3D TSV
29244490 52 Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).EBI J Med Chem 61: 1204-1217 (2018) Icahn School of Medicine at Mount Sinai 2D 3D TSV
29243920 134 Novel Terminal Bipheny-Based Diapophytoene Desaturases (CrtN) Inhibitors as Anti-MRSA/VISR/LRSA Agents with Reduced hERG Activity.EBI J Med Chem 61: 224-250 (2018) East China University of Science and Technology 2D 3D TSV
29242020 4 Selective inhibition of ?-N-acetylhexosaminidases by thioglycosyl-naphthalimide hybrid molecules.EBI Bioorg Med Chem 26: 394-400 (2018) Dalian University of Technology 2D 3D TSV
29240420 16 Iodine-Promoted Aromatization of p-Menthane-Type Phytocannabinoids.EBI J Nat Prod 81: 630-633 (2018) University of Eastern Piedmont 2D 3D TSV
29236497 37 Discovery of LY3104607: A Potent and Selective G Protein-Coupled Receptor 40 (GPR40) Agonist with Optimized Pharmacokinetic Properties to Support Once Daily Oral Treatment in Patients with Type 2 Diabetes Mellitus.EBI J Med Chem 61: 934-945 (2018) Eli Lilly and Company 2D 3D TSV
29233651 121 Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR?/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.EBI Bioorg Med Chem Lett 28: 85-93 (2018) Bristol-Myers Squibb 2D 3D TSV
29233614 2 Monoterpene indole alkaloid azine derivatives as MDR reversal agents.EBI Bioorg Med Chem 26: 421-434 (2018) Universidade de Lisboa 2D 3D TSV
29233590 2 Structure-activity analysis of CJ-15,801 analogues that interact with Plasmodium falciparum pantothenate kinase and inhibit parasite proliferation.EBI Eur J Med Chem 143: 1139-1147 (2018) The Australian National University 2D 3D TSV
29232588 56 Bioactive products from singlet oxygen photooxygenation of cannabinoids.EBI Eur J Med Chem 143: 983-996 (2018) The University of Mississippi 2D 3D TSV
29232586 10 Synthesis and biological evaluation of coumarin derivatives containing imidazole skeleton as potential antibacterial agents.EBI Eur J Med Chem 143: 958-969 (2018) Northwest A&F University 2D 3D TSV
29232579 2 Structure-based identification of a NEDD8-activating enzyme inhibitor via drug repurposing.EBI Eur J Med Chem 143: 1021-1027 (2018) University of Macau 2D 3D TSV
29232514 49 Discovery of Novel Selective Acetyl-CoA Carboxylase (ACC) 1 Inhibitors.EBI J Med Chem 61: 1098-1117 (2018) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
29229226 42 Novel sulfenamides and sulfonamides based on pyridazinone and pyridazine scaffolds as CBEBI Bioorg Med Chem 26: 295-307 (2018) University of Sassari 2D 3D TSV
29229225 40 Design, synthesis and pharmacological evaluation of new acyl sulfonamides as potent and selective Bcl-2 inhibitors.EBI Bioorg Med Chem 26: 443-454 (2018) Shanghai Institute of Materia Medica (SIMM) 2D 3D TSV
29227656 4 Artocarmins G-M, Prenylated 4-Chromenones from the Stems of Artocarpus rigida and Their Tyrosinase Inhibitory Activities.EBI J Nat Prod 80: 3172-3178 (2017) Hiroshima University 2D 3D TSV
29227643 70 Structure-Activity Relationship Studies on a Series of 3?-[Bis(4-fluorophenyl)methoxy]tropanes and 3?-[Bis(4-fluorophenyl)methylamino]tropanes As Novel Atypical Dopamine Transporter (DAT) Inhibitors for the Treatment of Cocaine Use Disorders.EBI J Med Chem 60: 10172-10187 (2017) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
29227101 30 The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.EBI J Med Chem 61: 119-139 (2018) University of Ljubljana 2D 3D TSV
29223100 15 Activation of anti-oxidant Nrf2 signaling by enone analogues of curcumin.EBI Eur J Med Chem 143: 854-865 (2018) University of New Mexico 2D 3D TSV
29223098 5 Trisubstituted barbiturates and thiobarbiturates: Synthesis and biological evaluation as xanthine oxidase inhibitors, antioxidants, antibacterial and anti-proliferative agents.EBI Eur J Med Chem 143: 829-842 (2018) University of Beira Interior 2D 3D TSV
29223096 45 Discovery of aliphatic-chain hydroxamates containing indole derivatives with potent class I histone deacetylase inhibitory activities.EBI Eur J Med Chem 143: 792-805 (2018) Taipei Medical University 2D 3D TSV
29220793 111 Design, synthesis, and biological evaluation of novel highly selective polo-like kinase 2 inhibitors based on the tetrahydropteridin chemical scaffold.EBI Eur J Med Chem 143: 724-731 (2018) Hefei University of Technology 2D 3D TSV
29220788 33 Recent discovery of indoleamine-2,3-dioxygenase 1 inhibitors targeting cancer immunotherapy.EBI Eur J Med Chem 143: 656-669 (2018) China Pharmaceutical University 2D 3D TSV
29220177 31 (+)-Methyl (1R,2S)-2-{[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]methyl}-1-phenylcyclopropanecarboxylate [(+)-MR200] Derivatives as Potent and Selective Sigma Receptor Ligands: Stereochemistry and Pharmacological Properties.EBI J Med Chem 61: 372-384 (2018) Universit£ di Catania 2D 3D TSV
29216561 6 Design, synthesis and evaluation of an anthraquinone derivative conjugated to myelin basic protein immunodominant (MBPEBI Eur J Med Chem 143: 621-631 (2018) University of Patras 2D 3D TSV
29216560 39 Identification of an oxime-containing C-glucosylarene as a potential inhibitor of sodium-dependent glucose co-transporter 2.EBI Eur J Med Chem 143: 611-620 (2018) National Health Research Institutes 2D 3D TSV
29211475 65 Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinEBI J Med Chem 61: 650-665 (2018) WuXi AppTec 2D 3D TSV
29211470 64 A Dipolar Cycloaddition Reaction To Access 6-Methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridines Enables the Discovery Synthesis and Preclinical Profiling of a P2X7 Antagonist Clinical Candidate.EBI J Med Chem 61: 207-223 (2018) Janssen Research and Development LLC 2D 3D TSV
29208522 34 Discovery of new GSK-3? inhibitors through structure-based virtual screening.EBI Bioorg Med Chem Lett 28: 160-166 (2018) Peking University 2D 3D TSV
29208511 11 Identification of potent lysophosphatidic acid receptor 5 (LPA5) antagonists as potential analgesic agents.EBI Bioorg Med Chem 26: 257-265 (2018) Astellas Pharma Inc. 2D 3D TSV
29207342 7 Accelerated skin wound healing by selective 11?-Hydroxylase (CYP11B1) inhibitors.EBI Eur J Med Chem 143: 591-597 (2018) Saarland University 2D 3D TSV
29207340 10 Xanthine oxidase inhibitory activity of natural and hemisynthetic flavonoids from Gardenia oudiepe (Rubiaceae) inávitro and molecular docking studies.EBI Eur J Med Chem 143: 577-582 (2018) Universidad Nacional de C£rdoba 2D 3D TSV
29207339 50 Structure-activity relationships for inhibitors of Pseudomonas aeruginosa exoenzyme S ADP-ribosyltransferase activity.EBI Eur J Med Chem 143: 568-576 (2018) Umea University 2D 3D TSV
29207335 6 Tamoxifen a pioneering drug: An update on the therapeutic potential of tamoxifen derivatives.EBI Eur J Med Chem 143: 515-531 (2018) American University of Ras Al Khaimah 2D 3D TSV
29205034 39 Augmentation of Anticancer Drug Efficacy in Murine Hepatocellular Carcinoma Cells by a Peripherally Acting Competitive N-Methyl-d-aspartate (NMDA) Receptor Antagonist.EBI J Med Chem 60: 9885-9904 (2017) University of Eastern Finland 2D 3D TSV
29203143 8 Synthesis and bioevaluation study of novel N-methylpicolinamide and thienopyrimidine derivatives as selectivity c-Met kinase inhibitors.EBI Bioorg Med Chem 26: 245-256 (2018) Jiangxi Science & Technology Normal University 2D 3D TSV
29203142 40 Synthesis and evaluation of a potent, well-balanced EPEBI Bioorg Med Chem 26: 200-214 (2018) Ono Pharmaceutical Co., Ltd. 2D 3D TSV
29202410 11 Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors.EBI Eur J Med Chem 143: 491-502 (2018) China Pharmaceutical University 2D 3D TSV
29202407 1 Exploiting polypharmacology for improving therapeutic outcome of kinase inhibitors (KIs): An update of recent medicinal chemistry efforts.EBI Eur J Med Chem 143: 449-463 (2018) Anhui University of Chinese Medicine 2D 3D TSV
29202405 21 Potent aromatase inhibitors and molecular mechanism of inhibitory action.EBI Eur J Med Chem 143: 426-437 (2018) Yunnan University 2D 3D TSV
29202403 50 Design, synthesis and structure-activity relationship of a focused library of ?-phenylalanine derivatives as novel eEF2K inhibitors with apoptosis-inducing mechanisms in breast cancer.EBI Eur J Med Chem 143: 402-418 (2018) Sichuan University 2D 3D TSV
29202402 24 Design, synthesis, and biological evaluation of a series of resorcinol-based N-benzyl benzamide derivatives as potent Hsp90 inhibitors.EBI Eur J Med Chem 143: 390-401 (2018) Keimyung University 2D 3D TSV
29202400 1 Discovery of caffeic acid phenethyl ester derivatives as novel myeloid differentiation protein 2 inhibitors for treatment of acute lung injury.EBI Eur J Med Chem 143: 361-375 (2018) Wenzhou Medical University 2D 3D TSV
29202398 17 Synthesis and biological characterization of ubenimex-fluorouracil conjugates for anti-cancer therapy.EBI Eur J Med Chem 143: 334-347 (2018) Shandong University 2D 3D TSV
29202397 25 Design, synthesis and biological evaluation of novel 2-aminobenzamides containing dithiocarbamate moiety as histone deacetylase inhibitors and potent antitumor agents.EBI Eur J Med Chem 143: 320-333 (2018) Beijing University of Chemical Technology 2D 3D TSV
29200281 20 Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases.EBI J Med Chem 60: 10026-10046 (2017) Chiesi Farmaceutici S.p.A. 2D 3D TSV
29198894 11 Design, synthesis and biological evaluation of novel indole-xanthendione hybrids as selective estrogen receptor modulators.EBI Bioorg Med Chem 26: 266-277 (2018) Central University of Punjab 2D 3D TSV
29198893 3 Synthesis and anti-influenza virus evaluation of triterpene-sialic acid conjugates.EBI Bioorg Med Chem 26: 17-24 (2018) Meiji Pharmaceutical University 2D 3D TSV
29198867 46 Design and synthesis of novel pyrimidine analogs as highly selective, non-covalent BTK inhibitors.EBI Bioorg Med Chem Lett 28: 145-151 (2018) Carna Biosciences, Inc. 2D 3D TSV
29198865 9 Histone H3 peptides incorporating modified lysine residues as lysine-specific demethylase 1 inhibitors.EBI Bioorg Med Chem Lett 28: 167-169 (2018) Waseda University 2D 3D TSV
29198864 29 Small molecule inhibitors of anthrax edema factor.EBI Bioorg Med Chem Lett 28: 134-139 (2018) Hawaii Biotech 2D 3D TSV
29198609 96 Synthesis and evaluation of biaryl derivatives for structural characterization of selective monoamine oxidase B inhibitors toward Parkinson's disease therapy.EBI Bioorg Med Chem 26: 232-244 (2018) Yonsei University 2D 3D TSV
29197732 112 Inhibitory effects and structural insights for a novel series of coumarin-based compounds that selectively target human CA IX and CA XII carbonic anhydrases.EBI Eur J Med Chem 143: 276-282 (2018) University of Messina 2D 3D TSV
29197731 14 Synthesis and antiproliferative activity of pyrrolo[2,3-b]pyridine derivatives bearing the 1,8-naphthyridin-2-one moiety.EBI Eur J Med Chem 143: 266-275 (2018) Jiangxi Science & Technology Normal University 2D 3D TSV
29195795 8 7-Methylguanosine monophosphate analogues with 5'-(1,2,3-triazoyl) moiety: Synthesis and evaluation as the inhibitors of cNIIIB nucleotidase.EBI Bioorg Med Chem 26: 191-199 (2018) University of Warsaw 2D 3D TSV
29195794 12 Design, synthesis and pharmacological evaluation of some novel indanone derivatives as acetylcholinesterase inhibitors for the management of cognitive dysfunction.EBI Bioorg Med Chem 26: 215-224 (2018) Panjab University 2D 3D TSV
29193967 30 Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.EBI J Med Chem 60: 10231-10244 (2017) ShanghaiTech University 2D 3D TSV
29191557 10 Synthesis of radioiodinated probes targeted toward matrix metalloproteinase-12.EBI Bioorg Med Chem Lett 28: 193-195 (2018) Kobe Pharmaceutical University 2D 3D TSV
29191554 11 Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors.EBI Bioorg Med Chem Lett 28: 188-192 (2018) Asubio Pharma Co., Ltd 2D 3D TSV
29191502 14 Synthesis, in vitro and in silico evaluation of novel trans-stilbene analogues as potential COX-2 inhibitors.EBI Bioorg Med Chem 26: 141-151 (2018) Poznan University of Medical Sciences 2D 3D TSV
29190092 55 Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity.EBI J Med Chem 60: 10188-10204 (2017) Martin-Luther University of Halle-Wittenberg 2D 3D TSV
29190083 69 Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.EBI J Med Chem 61: 265-285 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29189002 18 Discovery of Novel Potent VEGFR-2 Inhibitors Exerting Significant Antiproliferative Activity against Cancer Cell Lines.EBI J Med Chem 61: 140-157 (2018) China Pharmaceutical University 2D 3D TSV
29185748 3 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice.EBI J Med Chem 60: 10245-10256 (2017) University of Cape Town 2D 3D TSV
29183662 19 Bisindolylmethane thiosemicarbazides as potential inhibitors of urease: Synthesis and molecular modeling studies.EBI Bioorg Med Chem 26: 152-160 (2018) Imam Abdulrahman Bin Faisal University 2D 3D TSV
29178785 61 Highly Selective and Potent?4?2 nAChR Antagonist Inhibits Nicotine Self-Administration and Reinstatement in Rats.EBI J Med Chem 60: 10092-10104 (2017) Torrey Pines Institute for Molecular Studies 2D 3D TSV
29174814 72 Design, synthesis, biological evaluation and molecular modeling of novel 2-amino-4-(1-phenylethoxy) pyridine derivatives as potential ROS1 inhibitors.EBI Eur J Med Chem 143: 182-199 (2018) Southern Medical University 2D 3D TSV
29174809 52 Discovery of novel 2,4-diarylaminopyrimidine analogues as ALK and ROS1 dual inhibitors to overcome crizotinib-resistant mutants including G1202R.EBI Eur J Med Chem 143: 123-136 (2018) Shenyang Pharmaceutical University 2D 3D TSV
29174506 17 Discovery of novel purine nucleoside derivatives as phosphodiesterase 2 (PDE2) inhibitors: Structure-based virtual screening, optimization and biological evaluation.EBI Bioorg Med Chem 26: 119-133 (2018) East China University of Science and Technology 2D 3D TSV
29174347 58 Discovery of 5-((5-chloro-2-methoxyphenyl)sulfonamido)nicotinamide (SBI-425), a potent and orally bioavailable tissue-nonspecific alkaline phosphatase (TNAP) inhibitor.EBI Bioorg Med Chem Lett 28: 31-34 (2018) Sanford Burnham Prebys Medical Discovery Institute 2D 3D TSV
29173945 45 Synthesis and in vitro evaluations of 6-(hetero)-aryl-imidazo[1,2-b]pyridazine-3-sulfonamide's as an inhibitor of TNF-? production.EBI Bioorg Med Chem Lett 28: 24-30 (2018) Padmashri Vikhe Patil College of Arts 2D 3D TSV
29172540 65 Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.EBI J Med Chem 60: 9990-10012 (2017) Sichuan University 2D 3D TSV
29172528 18 Novel Sigma Receptor Ligand-Nitric Oxide Photodonors: Molecular Hybrids for Double-Targeted Antiproliferative Effect.EBI J Med Chem 60: 9531-9544 (2017) University of Catania 2D 3D TSV
29172502 96 Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88EBI J Med Chem 60: 10071-10091 (2017) AstraZeneca 2D 3D TSV
29172081 68 Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 143: 33-47 (2018) East China University of Science and Technology 2D 3D TSV
29170024 45 Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.EBI Bioorg Med Chem 26: 25-36 (2018) St. Jude Children's Research Hospital 2D 3D TSV
29169673 115 Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.EBI Bioorg Med Chem Lett 28: 15-23 (2018) WuXi AppTec Co., Ltd. 2D 3D TSV
29166018 34 Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.EBI J Med Chem 60: 10056-10070 (2017) Genentech 2D 3D TSV
29162455 6 Synthesis and biological evaluation of water-soluble derivatives of chiral gossypol as HIV fusion inhibitors targeting gp41.EBI Bioorg Med Chem Lett 28: 49-52 (2018) Renmin Hospital of Wuhan University 2D 3D TSV
29162454 43 The discovery and optimization of naphthalene-linked P2-P4 Macrocycles as inhibitors of HCV NS3 protease.EBI Bioorg Med Chem Lett 28: 43-48 (2018) Bristol-Myers Squibb 2D 3D TSV
29162308 58 A novel series of enoyl reductase inhibitors targeting the ESKAPE pathogens, Staphylococcus aureus and Acinetobacter baumannii.EBI Bioorg Med Chem 26: 65-76 (2018) Novalex Therapeutics 2D 3D TSV
29161514 7 Discovery of an Orally Bioavailable Benzofuran Analogue That Serves as a?-Amyloid Aggregation Inhibitor for the Potential Treatment of Alzheimer's Disease.EBI J Med Chem 61: 396-402 (2018) Medifron DBT Inc. 2D 3D TSV
29157864 4 New Caspase-1 inhibitor by scaffold hopping into bio-inspired 3D-fragment space.EBI Bioorg Med Chem Lett 27: 5373-5377 (2017) Edelris 2D 3D TSV
29157862 6 Scutellarin inhibits Hela cell growth and glycolysis by inhibiting the activity of pyruvate kinase M2.EBI Bioorg Med Chem Lett 27: 5404-5408 (2017) Guizhou Medical University 2D 3D TSV
29156136 160 The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.EBI J Med Chem 60: 9676-9690 (2017) Merck & Co. Inc 2D 3D TSV
29155585 9 Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.EBI J Med Chem 60: 10205-10219 (2017) Chinese Academy of Sciences 2D 3D TSV
29155580 65 A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.EBI J Med Chem 60: 10151-10171 (2017) Genentech 2D 3D TSV
29155568 29 Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach.EBI J Med Chem 60: 10013-10025 (2017) Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP) 2D 3D TSV
29153737 10 Structure-activity relationships and docking studies of synthetic 2-arylindole derivatives determined with aromatase and quinone reductase 1.EBI Bioorg Med Chem Lett 27: 5393-5399 (2017) University of Hawai'i at Hilo 2D 3D TSV
29153628 50 Discovery and in vivo effects of novel human natriuretic peptide receptor A (NPR-A) agonists with improved activity for rat NPR-A.EBI Bioorg Med Chem 25: 6680-6694 (2017) Asubio Pharma Co., Ltd 2D 3D TSV
29153547 50 Optimization of peptide-based polyagonists for treatment of diabetes and obesity.EBI Bioorg Med Chem 26: 2873-2881 (2018) Novo Nordisk Research Center Indianapolis 2D 3D TSV
29153425 69 Fluoroethoxy-1,4-diphenethylpiperidine and piperazine derivatives: Potent and selective inhibitors of [EBI Bioorg Med Chem Lett 27: 5467-5472 (2017) University of Kentucky 2D 3D TSV
29152053 100 Benzoxaboroles as Efficient Inhibitors of the ?-Carbonic Anhydrases from Pathogenic Fungi: Activity and Modeling Study.EBI ACS Med Chem Lett 8: 1194-1198 (2017) University of Montpellier 2D 3D TSV
29152052 4 Discovery of Thiophene[3,2-EBI ACS Med Chem Lett 8: 1188-1193 (2017) Shandong University 2D 3D TSV
29152051 40 ?-Space Screening of Dermorphin-Based Tetrapeptides through Use of Constrained Arylazepinone and Quinolinone Scaffolds.EBI ACS Med Chem Lett 8: 1177-1182 (2017) Vrije Universiteit Brussel 2D 3D TSV
29152048 5 Structure-Based Design and Synthesis of New Estrane-Pyridine Derivatives as Cytochrome P450 (CYP) 1B1 Inhibitors.EBI ACS Med Chem Lett 8: 1159-1164 (2017) CHU de Qu£bec-Research Center 2D 3D TSV
29152046 28 Design and Synthesis of N1-Modified Imidazoquinoline Agonists for Selective Activation of Toll-like Receptors 7 and 8.EBI ACS Med Chem Lett 8: 1148-1152 (2017) University of Minnesota 2D 3D TSV
29152045 74 Discovery of Indolinone-Based Multikinase Inhibitors as Potential Therapeutics for Idiopathic Pulmonary Fibrosis.EBI ACS Med Chem Lett 8: 1142-1147 (2017) Shenyang Pharmaceutical University 2D 3D TSV
29152044 8 Structure-Based Discovery of Thiosemicarbazone Metalloproteinase Inhibitors for Hemorrhage Treatment in Snakebites.EBI ACS Med Chem Lett 8: 1136-1141 (2017) Instituto de Ci£ncias Exatas 2D 3D TSV
29152043 6 Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Potential Treatment for Different Types of Cancers.EBI ACS Med Chem Lett 8: 1134-1135 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
29152042 32 Selective Inhibitors of Phosphodiesterase 4B (PDE-4B) May Provide a Better Treatment for CNS, Metabolic, Autoimmune, and Inflammatory Diseases.EBI ACS Med Chem Lett 8: 1132-1133 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
29152041 28 Selective Estrogen Receptor Degraders (SERDs): A Promising Treatment to Overcome Resistance to Endocrine Therapy in ER?-Positive Breast Cancer.EBI ACS Med Chem Lett 8: 1129-1131 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
29150398 42 Glycyrrhiza glabra extract and quercetin reverses cisplatin resistance in triple-negative MDA-MB-468 breast cancer cells via inhibition of cytochrome P450 1B1 enzyme.EBI Bioorg Med Chem Lett 27: 5400-5403 (2017) CSIR-Indian Institute of Integrative Medicine 2D 3D TSV
29150397 27 Fragment-based design, synthesis, biological evaluation, and SAR of 1H-benzo[d]imidazol-2-yl)-1H-indazol derivatives as potent PDK1 inhibitors.EBI Bioorg Med Chem Lett 27: 5473-5480 (2017) Brigham Young University 2D 3D TSV
29150396 6 Identification of pyruvate dehydrogenase kinase 1 inhibitors with anti-osteosarcoma activity.EBI Bioorg Med Chem Lett 27: 5450-5453 (2017) Sichuan University 2D 3D TSV
29150335 13 Camptothecin-psammaplin A hybrids as topoisomerase I and HDAC dual-action inhibitors.EBI Eur J Med Chem 143: 2005-2014 (2018) Universit£ degli Studi di Milano 2D 3D TSV
29150334 2 A routinely used protein staining dye acts as an inhibitor of wild type and mutant alpha-synuclein aggregation and modulator of neurotoxicity.EBI Eur J Med Chem 143: 1174-1184 (2018) National Institute of Immunology 2D 3D TSV
29150331 1 Anti-amyloidogenic and anti-apoptotic effect of ?-bisabolol against A? induced neurotoxicity in PC12 cells.EBI Eur J Med Chem 143: 1196-1207 (2018) Alagappa University 2D 3D TSV
29150330 54 The structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity.EBI Eur J Med Chem 143: 1790-1806 (2018) Wayne State University 2D 3D TSV
29150077 1 Unique arginine array improves cytosolic localization of hydrocarbon-stapled peptides.EBI Bioorg Med Chem 26: 1197-1202 (2018) Yale University 2D 3D TSV
29148806 38 Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH).EBI J Med Chem 60: 9960-9973 (2017) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
29148769 22 Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.EBI J Med Chem 60: 9860-9873 (2017) Pfizer Inc 2D 3D TSV
29148763 6 Discovery of N-(3-Carbamoyl-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-lH-pyrazole-5-carboxamide (GLPG1837), a Novel Potentiator Which Can Open Class III Mutant Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Channels to a High Extent.EBI J Med Chem 61: 1425-1435 (2018) Galapagos NV 2D 3D TSV
29148755 6 Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies.EBI J Med Chem 60: 10118-10134 (2017) University of Cape Town 2D 3D TSV
29146472 71 Discovery of the first low-shift positive allosteric modulators for the muscarinic M1 receptor.EBI Bioorg Med Chem Lett 27: 5415-5419 (2017) Roche Pharma Research and Early Development 2D 3D TSV
29146452 12 Design, synthesis, and biological evaluation of thieno[2,3-d]pyrimidine derivatives as novel dual c-Met and VEGFR-2 kinase inhibitors.EBI Bioorg Med Chem 25: 6674-6679 (2017) China Pharmaceutical University 2D 3D TSV
29146136 32 Identification of highly potent BTK and JAK3 dual inhibitors with improved activity for the treatment of B-cell lymphoma.EBI Eur J Med Chem 143: 1847-1857 (2018) The First Affiliated Hospital of Dalian Medical University 2D 3D TSV
29146134 64 Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies.EBI Eur J Med Chem 143: 1931-1941 (2018) Medical University of Gdansk 2D 3D TSV
29144746 8 Oxyprenylated Phenylpropanoids Bind to MT1 Melatonin Receptors and Inhibit Breast Cancer Cell Proliferation and Migration.EBI J Nat Prod 80: 3324-3329 (2017) Duquesne University 2D 3D TSV
29144739 1 Protac-Induced Protein Degradation in Drug Discovery: Breaking the Rules or Just Making New Ones?EBI J Med Chem 61: 444-452 (2018) BenevolentBio 2D 3D TSV
29144137 60 Design of Novel 3-Pyrimidinylazaindole CDK2/9 Inhibitors with Potent In Vitro and In Vivo Antitumor Efficacy in a Triple-Negative Breast Cancer Model.EBI J Med Chem 60: 9470-9489 (2017) CSIR-Indian Institute of Integrative Medicine 2D 3D TSV
29141777 37 Design, synthesis and biological evaluation of novel oseltamivir derivatives as potent neuraminidase inhibitors.EBI Bioorg Med Chem Lett 27: 5429-5435 (2017) Shanghai Institute of Technology 2D 3D TSV
29140705 26 Cornusides A-O, Bioactive Iridoid Glucoside Dimers from the Fruit of Cornus officinalis.EBI J Nat Prod 80: 3103-3111 (2017) Beijing University of Chinese Medicine 2D 3D TSV
29138029 21 Synthesis and antidepressant activity of a series of arylalkanol and aralkyl piperazine derivatives targeting SSRI/5-HTEBI Bioorg Med Chem Lett 27: 5420-5423 (2017) Shanghai Institute of Pharmaceutical Industry 2D 3D TSV
29138024 213 (E)-3-(3,4,5-Trimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one, a heterocyclic chalcone is a potent and selective CYP1A1 inhibitor and cancer chemopreventive agent.EBI Bioorg Med Chem Lett 27: 5409-5414 (2017) De Montfort University 2D 3D TSV
29137867 29 Functionalized 2,1-benzothiazine 2,2-dioxides as new inhibitors of Dengue NS5 RNA-dependent RNA polymerase.EBI Eur J Med Chem 143: 1667-1676 (2018) Universit£ degli Studi di Perugia 2D 3D TSV
29137864 36 Synthesis, molecular docking, and QSAR study of sulfonamide-based indoles as aromatase inhibitors.EBI Eur J Med Chem 143: 1604-1615 (2018) Srinakharinwirot University 2D 3D TSV
29136465 18 Recent Progress of Small-Molecule Epidermal Growth Factor Receptor (EGFR) Inhibitors against C797S Resistance in Non-Small-Cell Lung Cancer.EBI J Med Chem 61: 4290-4300 (2018) Wenzhou Medical University 2D 3D TSV
29135244 5 Natural Products with Heteroatom-Rich Ring Systems.EBI J Nat Prod 80: 3060-3079 (2017) University of Auckland 2D 3D TSV
29133059 5 Recent advances in the search for novel 5-lipoxygenase inhibitors for the treatment of asthma.EBI Eur J Med Chem 153: 65-72 (2018) University of Campania "Luigi Vanvitelli" 2D 3D TSV
29133058 4 Design and synthesis of thienopyrimidine urea derivatives with potential cytotoxic and pro-apoptotic activity against breast cancer cell line MCF-7.EBI Eur J Med Chem 143: 1807-1825 (2018) Cairo University 2D 3D TSV
29133047 11 Discovery of new potent molecular entities able to inhibit mPGES-1.EBI Eur J Med Chem 143: 1419-1427 (2018) University of Salerno 2D 3D TSV
29133046 18 Design, synthesis and biological evaluation of novel benzimidazole amidines as potent multi-target inhibitors for the treatment of non-small cell lung cancer.EBI Eur J Med Chem 143: 1616-1634 (2018) University of Zagreb 2D 3D TSV
29133043 16 1,4-Naphthoquinones potently inhibiting P2X7 receptor activity.EBI Eur J Med Chem 143: 1361-1372 (2018) Instituto Oswaldo Cruz 2D 3D TSV
29133042 33 Synthesis of bis-indolylmethanes as new potential inhibitors of ?-glucuronidase and their molecular docking studies.EBI Eur J Med Chem 143: 1757-1767 (2018) Imam Abdulrahman Bin Faisal University 2D 3D TSV
29133033 28 Design, synthesis, and evaluation of A-ring-modified lamellarin N analogues as noncovalent inhibitors of the EGFR T790M/L858R mutant.EBI Bioorg Med Chem 25: 6563-6580 (2017) Nagasaki University 2D 3D TSV
29132752 3 Drug-target interactions that involve the replacement or displacement of magnesium ions.EBI Bioorg Med Chem Lett 27: 5355-5372 (2017) Bristol-Myers Squibb Research and Development 2D 3D TSV
29131958 70 Design, Synthesis, and Biological Assessment of Biased Allosteric Modulation of the Urotensin II Receptor Using Achiral 1,3,4-Benzotriazepin-2-one Turn Mimics.EBI J Med Chem 60: 9838-9859 (2017) Universit£ de Montr£al 2D 3D TSV
29128116 3 Design and synthesis of small molecule agonists of EphA2 receptor.EBI Eur J Med Chem 143: 1261-1276 (2018) Case Western Reserve University School of Medicine 2D 3D TSV
29126742 8 Ionic liquid mediated stereoselective synthesis of alanine linked hybrid quinazoline-4(3H)-one derivatives perturbing the malarial reductase activity in folate pathway.EBI Bioorg Med Chem 25: 6635-6646 (2017) Sardar Patel University 2D 3D TSV
29126732 19 2-Arylbenzofurans from Artocarpus lakoocha and methyl ether analogs with potent cholinesterase inhibitory activity.EBI Eur J Med Chem 143: 1301-1311 (2018) Srinakharinwirot University 2D 3D TSV
29126727 75 Design, synthesis and biochemical evaluation of novel multi-target inhibitors as potential anti-Parkinson agents.EBI Eur J Med Chem 143: 1543-1552 (2018) "G. D'Annunzio" University of Chieti-Pescara 2D 3D TSV
29126725 95 Conformationally rigid derivatives of WAY-267,464: Synthesis and pharmacology at the human oxytocin and vasopressin-1a receptors.EBI Eur J Med Chem 143: 1644-1656 (2018) The University of Sydney 2D 3D TSV
29126721 81 Synthesis, monoamine oxidase inhibition activity and molecular docking studies of novel 4-hydroxy-N'-[benzylidene or 1-phenylethylidene]-2-H/methyl/benzyl-1,2-benzothiazine-3-carbohydrazide 1,1-dioxides.EBI Eur J Med Chem 143: 1373-1386 (2018) Government College University 2D 3D TSV
29125762 37 Highly Selective Dopamine DEBI J Med Chem 60: 9905-9910 (2017) University of Pennsylvania 2D 3D TSV
29125744 38 Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.EBI J Med Chem 60: 9790-9806 (2017) University of Dundee 2D 3D TSV
29125295 21 Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist.EBI J Med Chem 60: 9641-9652 (2017) University of Campania 2D 3D TSV
29120642 2 Targeted Isolation of Monoterpene Indole Alkaloids from Palicourea sessilis.EBI J Nat Prod 80: 3032-3037 (2017) Universidade Federal do Rio Grande do Sul-UFRGS 2D 3D TSV
29120638 216 Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).EBI J Med Chem 60: 9184-9204 (2017) National Center for Advancing Translational Sciences 2D 3D TSV
29120624 58 Discovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1PEBI J Med Chem 60: 9508-9530 (2017) Ono Pharmaceutical Co., Ltd 2D 3D TSV
29117897 3 Exploring the tetrahydroisoquinoline thiohydantoin scaffold blockade the androgen receptor as potent anti-prostate cancer agents.EBI Eur J Med Chem 143: 1325-1344 (2018) China Pharmaceutical University 2D 3D TSV
29117896 7 Discovery of a head-to-tail cyclic peptide as the Keap1-Nrf2 protein-protein interaction inhibitor with high cell potency.EBI Eur J Med Chem 143: 1578-1589 (2018) China Pharmaceutical University 2D 3D TSV
29116812 29 X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.EBI J Med Chem 60: 9299-9319 (2017) Yale University 2D 3D TSV
29116786 265 Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies.EBI J Med Chem 60: 9769-9789 (2017) Idorsia Pharmaceuticals Ltd. 2D 3D TSV
29116785 1 A Positive Allosteric Modulator of the Serotonin 5-HTEBI J Med Chem 60: 9575-9584 (2017) Universidad Complutense de Madrid 2D 3D TSV
29116780 2 Bioactive Asarone-Derived Phenylpropanoids from the Rhizome of Acorus tatarinowii Schott.EBI J Nat Prod 80: 2923-2929 (2017) College of Pharmacy/Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research 2D 3D TSV
29113762 16 The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design.EBI Bioorg Med Chem Lett 27: 5167-5171 (2017) Merck 2D 3D TSV
29112434 7 N-Butyl-l-deoxynojirimycin (l-NBDNJ): Synthesis of an Allosteric Enhancer of?-Glucosidase Activity for the Treatment of Pompe Disease.EBI J Med Chem 60: 9462-9469 (2017) Universit£ degli Studi di Napoli Federico II 2D 3D TSV
29111736 92 Structure-Affinity Relationships and Structure-Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists.EBI J Med Chem 60: 9545-9564 (2017) Leiden University 2D 3D TSV
29111717 64 Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.EBI J Med Chem 60: 9617-9629 (2017) iTeos Therapeutics 2D 3D TSV
29111705 4 One-Bead-Two-Compound Thioether Bridged Macrocyclic?-AApeptide Screening Library against EphA2.EBI J Med Chem 60: 9290-9298 (2017) University of South Florida 2D 3D TSV
29111368 43 Discovery of new antimalarial agents: Second-generation dual inhibitors against FP-2 and PfDHFR via fragments assembely.EBI Bioorg Med Chem 25: 6467-6478 (2017) East China University of Science and Technology 2D 3D TSV
29110989 25 Repurposing Hsp90 inhibitors as antibiotics targeting histidine kinases.EBI Bioorg Med Chem Lett 27: 5235-5244 (2017) Williams College 2D 3D TSV
29110986 22 The synthesis of 2,3,6-trisubstituted 1-oxo-1,2-dihydroisoquinolines as potent CRThEBI Bioorg Med Chem Lett 27: 5344-5348 (2017) Merck 2D 3D TSV
29110985 6 Cyclotides, a versatile ultrastable micro-protein scaffold for biotechnological applications.EBI Bioorg Med Chem Lett 27: 5089-5099 (2017) University of Southern California 2D 3D TSV
29108753 2 Docking based design of diastereoisomeric MTCA as GPIIb/IIIa receptor inhibitor.EBI Bioorg Med Chem Lett 27: 5114-5118 (2017) Capital Medical University 2D 3D TSV
29107542 35 Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.EBI Bioorg Med Chem Lett 27: 5221-5224 (2017) Novartis Institutes for Biomedical Research 2D 3D TSV
29107541 16 Synthesis and evaluation of analogues of the tuberculosis drug bedaquiline containing heterocyclic B-ring units.EBI Bioorg Med Chem Lett 27: 5190-5196 (2017) University of Auckland 2D 3D TSV
29107429 7 Discovery of 1-(3-aryl-4-chlorophenyl)-3-(p-aryl)urea derivatives against breast cancer by inhibiting PI3K/Akt/mTOR and Hedgehog signalings.EBI Eur J Med Chem 141: 721-733 (2017) Tsinghua University 2D 3D TSV
29107427 13 Targeting Wnt-driven cancers: Discovery of novel tankyrase inhibitors.EBI Eur J Med Chem 142: 506-522 (2017) University of Perugia 2D 3D TSV
29107426 16 Synthesis and biological evaluation of NHEBI Eur J Med Chem 141: 648-656 (2017) Shenyang Pharmaceutical University 2D 3D TSV
29107425 90 Novel LCK/FMS inhibitors based on phenoxypyrimidine scaffold as potential treatment for inflammatory disorders.EBI Eur J Med Chem 141: 657-675 (2017) Korea Institute of Science and Technology (KIST) 2D 3D TSV
29107424 27 Selective kappa opioid antagonists for treatment of addiction, are we there yet?EBI Eur J Med Chem 141: 632-647 (2017) University of Science and Technology 2D 3D TSV
29107423 6 Multifunctional iminochromene-2H-carboxamide derivatives containing different aminomethylene triazole with BACE1 inhibitory, neuroprotective and metal chelating properties targeting Alzheimer's disease.EBI Eur J Med Chem 141: 690-702 (2017) Shiraz University of Medical Sciences 2D 3D TSV
29107421 9 Discovery of novel pyrrolo-pyridine/pyrimidine derivatives bearing pyridazinone moiety as c-Met kinase inhibitors.EBI Eur J Med Chem 141: 538-551 (2017) Jiangxi Science & Technology Normal University 2D 3D TSV
29107420 19 African trypanosomiasis: Synthesis & SAR enabling novel drug discovery of ubiquinol mimics for trypanosome alternative oxidase.EBI Eur J Med Chem 141: 676-689 (2017) University of Sussex 2D 3D TSV
29103974 1 Optimization of a series of heterocycles as survival motor neuron gene transcription enhancers.EBI Bioorg Med Chem Lett 27: 5144-5148 (2017) Harvard Medical School 2D 3D TSV
29103972 53 Novel highly selective peroxisome proliferator-activated receptor ? (PPAR?) modulators with pharmacokinetic properties suitable for once-daily oral dosing.EBI Bioorg Med Chem Lett 27: 5230-5234 (2017) Mitobridge, Inc. 2D 3D TSV
29103971 12 Synthesis and biological evaluation of thiazole derivatives as GPR119 agonists.EBI Bioorg Med Chem Lett 27: 5213-5220 (2017) Sogang University 2D 3D TSV
29102463 43 Novel ureidopropanamide based N-formyl peptide receptor 2 (FPR2) agonists with potential application for central nervous system disorders characterized by neuroinflammation.EBI Eur J Med Chem 141: 703-720 (2017) Universit£ degli Studi di Bari Aldo Moro 2D 3D TSV
29102227 19 Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors.EBI Bioorg Med Chem Lett 27: 5272-5276 (2017) Asubio Pharma Co., Ltd. 2D 3D TSV
29102178 20 Synthesis of piperazine sulfonamide analogs as diabetic-II inhibitors and their molecular docking study.EBI Eur J Med Chem 141: 530-537 (2017) University of Dammam 2D 3D TSV
29102176 135 Synthesis and biological evaluation of new naphtho- and quinolinocyclopentane derivatives as potent melatoninergic (MTEBI Eur J Med Chem 141: 552-566 (2017) Univ. Lille 2D 3D TSV
29102175 91 Discovery of novel anti-angiogenesis agents. Part 7: Multitarget inhibitors of VEGFR-2, TIE-2 and EphB4.EBI Eur J Med Chem 141: 506-518 (2017) Xi'an Jiaotong University 2D 3D TSV
29102081 7 Phosphamide-containing diphenylpyrimidine analogues (PA-DPPYs) as potent focal adhesion kinase (FAK) inhibitors with enhanced activity against pancreatic cancer cell lines.EBI Bioorg Med Chem 25: 6313-6321 (2017) Dalian Medical University 2D 3D TSV
29100801 65 Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-1.EBI Bioorg Med Chem Lett 27: 5131-5138 (2017) Glenmark Pharmaceuticals Limited 2D 3D TSV
29100798 21 Benzo[c][1,2,5]thiadiazole derivatives: A new class of potent Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors.EBI Bioorg Med Chem Lett 27: 5154-5157 (2017) Jiangnan University 2D 3D TSV
29100797 37 Structure-activity relationships of 2-substituted phenyl-N-phenyl-2-oxoacetohydrazonoyl cyanides as novel antagonists of exchange proteins directly activated by cAMP (EPACs).EBI Bioorg Med Chem Lett 27: 5163-5166 (2017) University of Texas Medical Branch 2D 3D TSV
29100735 12 Improving metabolic stability with deuterium: The discovery of GPU-028, a potent free fatty acid receptor 4 agonists.EBI Bioorg Med Chem 25: 6647-6652 (2017) Guangdong Pharmaceutical University 2D 3D TSV
29094944 98 Design of MC1R Selective?-MSH Analogues with Canonical Amino Acids Leads to Potency and Pigmentation.EBI J Med Chem 60: 9320-9329 (2017) The University of Arizona 2D 3D TSV
29094937 194 Structure-Based Design and Discovery of New MEBI J Med Chem 60: 9239-9250 (2017) University of California 2D 3D TSV
29091437 50 Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.EBI J Med Chem 60: 9360-9375 (2017) Northwestern University 2D 3D TSV
29091431 48 Application of the Ugi Multicomponent Reaction in the Synthesis of Reactivators of Nerve Agent Inhibited Acetylcholinesterase.EBI J Med Chem 60: 9376-9392 (2017) TNO 2D 3D TSV
29091428 52 Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors.EBI J Med Chem 60: 9330-9348 (2017) University of Vienna 2D 3D TSV
29091425 35 Identification of 4-Phenoxyquinoline Based Inhibitors for L1196M Mutant of Anaplastic Lymphoma Kinase by Structure-Based Design.EBI J Med Chem 60: 9205-9221 (2017) Korea Advanced Institute of Science and Technology (KAIST) 2D 3D TSV
29089261 18 Exploration of multi-target potential of chromen-4-one based compounds in Alzheimer's disease: Design, synthesis and biological evaluations.EBI Bioorg Med Chem 25: 6273-6285 (2017) Punjabi University 2D 3D TSV
29089260 15 Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective inhibitors of mutant isocitrate dehydrogenase 1.EBI Bioorg Med Chem 25: 6379-6387 (2017) China Pharmaceutical University 2D 3D TSV
29089259 50 Trisubstituted purine inhibitors of PDGFR? and their antileukemic activity in the human eosinophilic cell line EOL-1.EBI Bioorg Med Chem 25: 6523-6535 (2017) Palack£ University 2D 3D TSV
29089257 1 Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.EBI Bioorg Med Chem 25: 6479-6485 (2017) Harvard Medical School 2D 3D TSV
29089231 49 Challenges in the development of an MEBI Bioorg Med Chem Lett 27: 5179-5184 (2017) Vanderbilt University School of Medicine 2D 3D TSV
29088532 20 Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.EBI J Med Chem 60: 9807-9820 (2017) Eli Lilly and Company 2D 3D TSV
29087712 34 Grassystatins D-F, Potent Aspartic Protease Inhibitors from Marine Cyanobacteria as Potential Antimetastatic Agents Targeting Invasive Breast Cancer.EBI J Nat Prod 80: 2969-2986 (2017) University of Florida 2D 3D TSV
29087197 1 Fragment-to-Lead Medicinal Chemistry Publications in 2016.EBI J Med Chem 61: 1774-1784 (2018) Astex Pharmaceuticals , 436 Cambridge Science Park, Milton Road , Cambridge CB4 0QA , United Kingdom. 2D 3D TSV
29083893 13 Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.EBI J Med Chem 60: 9349-9359 (2017) Monash University 2D 3D TSV
29079473 62 Discovery and structure-activity-relationship study of novel conformationally restricted indane analogues for mutant isocitric dehydrogenase 1 (IDH1) inhibitors.EBI Bioorg Med Chem Lett 27: 5262-5266 (2017) Shanghai Haihe Co., Ltd. 2D 3D TSV
29079472 66 6-Substituted quinolines as ROR?t inverse agonists.EBI Bioorg Med Chem Lett 27: 5277-5283 (2017) Janssen Research and Development, LLC 2D 3D TSV
29079014 25 Novel analogs of PSNCBAM-1 as allosteric modulators of cannabinoid CB1 receptor.EBI Bioorg Med Chem 25: 6427-6434 (2017) University of Pisa 2D 3D TSV
29078995 27 Rapid generation of a novel DPP-4 inhibitor with long-acting properties: SAR study and PK/PD evaluation.EBI Eur J Med Chem 141: 519-529 (2017) The First Affiliated Hospital of Guangzhou Medical University 2D 3D TSV
29077405 63 Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).EBI J Med Chem 60: 9703-9723 (2017) Bristol-Myers Squibb Co. 2D 3D TSV
29077404 7 Pharmacophore Hybridization To Discover Novel Topoisomerase II Poisons with Promising Antiproliferative Activity.EBI J Med Chem 61: 1375-1379 (2018) Istituto Italiano di Tecnologia 2D 3D TSV
29074349 29 Structure optimization of tetrahydropyridoindole-based aldose reductase inhibitors improved their efficacy and selectivity.EBI Bioorg Med Chem 25: 6353-6360 (2017) Slovak Academy of Sciences 2D 3D TSV
29074258 9 Polyhydroxylated azetidine iminosugars: Synthesis, glycosidase inhibitory activity and molecular docking studies.EBI Bioorg Med Chem Lett 27: 5291-5295 (2017) Savitribai Phule Pune University (Formerly 2D 3D TSV
29074257 115 Discovery and evaluation of CaEBI Bioorg Med Chem Lett 27: 5326-5331 (2017) Idorsia Pharmaceuticals Ltd. 2D 3D TSV
29074254 52 Discovery of a class of diheteroaromatic amines as orally bioavailable CDK1/4/6 inhibitors.EBI Bioorg Med Chem Lett 27: 5332-5336 (2017) Shanghai HaiHe Pharmaceutial, Co., Ltd. 2D 3D TSV
29072911 16 Design of Small-Molecule Active-Site Inhibitors of the S1A Family Proteases as Procoagulant and Anticoagulant Drugs.EBI J Med Chem 61: 3799-3822 (2018) University of Nottingham 2D 3D TSV
29072452 42 Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a CanEBI J Med Chem 60: 9599-9616 (2017) Eli Lilly and Company 2D 3D TSV
29066309 87 Discovery and evaluation of CaEBI Bioorg Med Chem Lett 27: 5322-5325 (2017) Idorsia Pharmaceuticals Ltd. 2D 3D TSV
29066136 4 Ability of higenamine and related compounds to enhance glucose uptake in L6 cells.EBI Bioorg Med Chem 25: 6412-6416 (2017) Hokkaido University 2D 3D TSV
29064696 18 Camellianols A-G, Barrigenol-like Triterpenoids with PTP1B Inhibitory Effects from the Endangered Ornamental Plant Camellia crapnelliana.EBI J Nat Prod 80: 2874-2882 (2017) Fudan University 2D 3D TSV
29064243 41 Development of Potent, Protease-Resistant Agonists of the Parathyroid Hormone Receptor with Broad? Residue Distribution.EBI J Med Chem 60: 8816-8833 (2017) University of Wisconsin-Madison 2D 3D TSV
29057062 33 Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.EBI ACS Med Chem Lett 8: 1122-1127 (2017) University of Notre Dame 2D 3D TSV
29057060 100 Discovery of VU6005649, a CNS Penetrant mGluEBI ACS Med Chem Lett 8: 1110-1115 (2017) Vanderbilt University 2D 3D TSV
29057059 82 Lucky Switcheroo: Dramatic Potency and Selectivity Improvement of Imidazoline Inhibitors of Human Carbonic Anhydrase VII.EBI ACS Med Chem Lett 8: 1105-1109 (2017) Saint Petersburg State University 2D 3D TSV
29057057 54 From PIM1 to PI3K? via GSK3?: Target Hopping through the Kinome.EBI ACS Med Chem Lett 8: 1093-1098 (2017) GlaxoSmithKline 2D 3D TSV
29057054 29 Discovery of Novel 5-(Piperazine-1-carbonyl)pyridin-2(1EBI ACS Med Chem Lett 8: 1077-1082 (2017) Takeda Pharmaceutical Company Ltd. 2D 3D TSV
29057049 53 Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.EBI ACS Med Chem Lett 8: 1048-1053 (2017) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
29057048 18 Targeting the Allosteric Site of Oncoprotein BCR-ABL as an Alternative Strategy for Effective Target Protein Degradation.EBI ACS Med Chem Lett 8: 1042-1047 (2017) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
29057046 22 Synthesis and Pharmacological Evaluation of Selective Histone Deacetylase 6 Inhibitors in Melanoma Models.EBI ACS Med Chem Lett 8: 1031-1036 (2017) University of Illinois at Chicago 2D 3D TSV
29057045 16 Artificial Macrocycles as Potent p53-MDM2 Inhibitors.EBI ACS Med Chem Lett 8: 1025-1030 (2017) University of Groningen 2D 3D TSV
29057044 13 6-Cyano Analogues of Bedaquiline as Less Lipophilic and Potentially Safer Diarylquinolines for Tuberculosis.EBI ACS Med Chem Lett 8: 1019-1024 (2017) University of Auckland 2D 3D TSV
29057043 40 Resorcinol-Based Grp94-Selective Inhibitors.EBI ACS Med Chem Lett 8: 1013-1018 (2017) The University of Kansas 2D 3D TSV