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PMIDDataArticle TitleCitationOrganizationSD Files Download
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
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
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
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
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 MD Anderson Cancer Center 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
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
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
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 Company Limited 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
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
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
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
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
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
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
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
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
29350927 102 Synthesis and Pharmacological Characterization of C4EBI J Med Chem 61: 2303-2328 (2018) TBA 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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) Lilly Research Laboratories 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 Company Limited 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
29220177 32 (+)-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
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& Development, LLC 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
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
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
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
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
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
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
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 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 30 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
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
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
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
29120638 174 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
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
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
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
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
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
29088532 20 Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.EBI J Med Chem 60: 9807-9820 (2017) Lilly SA 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
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 Company 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
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) Lilly Research Laboratories 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
29053268 32 Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potent?-Opioid Receptor Agonists.EBI J Med Chem 60: 9407-9412 (2017) University of Innsbruck 2D 3D TSV
29049886 62 Structure-Activity Relationship Studies of Pyrimido[5,4-b]indoles as Selective Toll-Like Receptor 4 Ligands.EBI J Med Chem 60: 9142-9161 (2017) University of California 2D 3D TSV
29048889 7 Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).EBI J Med Chem 60: 9003-9011 (2017) University of Florence 2D 3D TSV
29045782 26 Noncovalent Protein Arginine Deiminase (PAD) Inhibitors Are Efficacious in Animal Models of Multiple Sclerosis.EBI J Med Chem 60: 8876-8887 (2017) University of Toronto 2D 3D TSV
29045152 55 Discovery of Potent and Orally Bioavailable Macrocyclic Peptide-Peptoid Hybrid CXCR7 Modulators.EBI J Med Chem 60: 9653-9663 (2017) Pfizer Inc. 2D 3D TSV
29045135 12 Structural Basis of Inhibition of ER?-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides.EBI J Med Chem 60: 8731-8740 (2017) Shenzhen Graduate School of Peking University 2D 3D TSV
29039668 4 Targets for Drug Therapy for Autism Spectrum Disorder: Challenges and Future Directions.EBI J Med Chem 60: 9114-9141 (2017) Universit£ degli Studi di Bari Aldo Moro 2D 3D TSV
29035567 38 Hit-to-Lead Optimization and Discovery of 5-((5-([1,1'-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase.EBI J Med Chem 60: 9040-9052 (2017) Metabasis Therapeutics, Inc. 2D 3D TSV
29035537 19 Discovery of a Novel Piperidine-Based Inhibitor of Cholesteryl Ester Transfer Protein (CETP) That Retains Activity in Hypertriglyceridemic Plasma.EBI J Med Chem 60: 8466-8481 (2017) Novartis Institutes for BioMedical Research, Inc. 2D 3D TSV
29028172 15 Influences of Histidine-1 and Azaphenylalanine-4 on the Affinity, Anti-inflammatory, and Antiangiogenic Activities of Azapeptide Cluster of Differentiation 36 Receptor Modulators.EBI J Med Chem 60: 9263-9274 (2017) Universit£ de Montr£al 2D 3D TSV
29028171 18 Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.EBI J Med Chem 60: 8982-8988 (2017) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
29023121 36 Discovery of 3,5-Diphenyl-4-methyl-1,3-oxazolidin-2-ones as Novel, Potent, and Orally Available?-5 Desaturase (D5D) Inhibitors.EBI J Med Chem 60: 8963-8981 (2017) Takeda Pharmaceutical Company Limited 2D 3D TSV
29023112 52 Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).EBI J Med Chem 60: 8945-8962 (2017) Vernalis (R&D) Ltd. 2D 3D TSV
29019697 24 Development of Potent Type I Protein Arginine Methyltransferase (PRMT) Inhibitors of Leukemia Cell Proliferation.EBI J Med Chem 60: 8888-8905 (2017) Zhejiang Sci-Tech University 2D 3D TSV
29019676 12 Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.EBI J Med Chem 60: 9090-9096 (2017) EntreMed Inc. 2D 3D TSV
29016121 44 Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.EBI J Med Chem 60: 8482-8514 (2017) Novartis Institutes for BioMedical Research 2D 3D TSV

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