Binding Database

Biotin analogues with antibacterial activity are potent inhibitors of biotin protein ligase.

24900501

ACS Med Chem Lett 3: 509-514 (2012)

TBA

2D 3D TSV

24900500

Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group.

ACS Med Chem Lett 3: 505-508 (2012)

TBA

2D 3D TSV

24900499

The Discovery of MK-4256, a Potent SSTR3 Antagonist as a Potential Treatment of Type 2 Diabetes.

ACS Med Chem Lett 3: 484-489 (2012)

TBA

2D 3D TSV

24900494

Synthesis and biochemical evaluation of thiochromanone thiosemicarbazone analogues as inhibitors of cathepsin L.

ACS Med Chem Lett 3: 450-453 (2012)

TBA

2D 3D TSV

24900493

Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.

ACS Med Chem Lett 3: 445-449 (2012)

TBA

2D 3D TSV

24900488

RXR Partial Agonist CBt-PMN Exerts Therapeutic Effects on Type 2 Diabetes without the Side Effects of RXR Full Agonists.

ACS Med Chem Lett 3: 427-432 (2012)

TBA

2D 3D TSV

24900487

�-Lactones Inhibit N-acylethanolamine Acid Amidase by S-Acylation of the Catalytic N-Terminal Cysteine.

ACS Med Chem Lett 3: 422-426 (2012)

TBA

2D 3D TSV

24900486

Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973).

ACS Med Chem Lett 3: 416-421 (2012)

TBA

2D 3D TSV

24900485

Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides.

ACS Med Chem Lett 3: 411-415 (2012)

TBA

2D 3D TSV

24900484

Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents.

ACS Med Chem Lett 3: 397-401 (2012)

TBA

2D 3D TSV

24900483

Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.

ACS Med Chem Lett 3: 387-391 (2012)

TBA

2D 3D TSV

24900482

Targeted kinase selectivity from kinase profiling data.

ACS Med Chem Lett 3: 383-386 (2012)

TBA

2D 3D TSV

24900481

A Divergent SAR Study Allows Optimization of a Potent 5-HT2c Inhibitor to a Promising Antimalarial Scaffold.

ACS Med Chem Lett 3: 373-377 (2012)

TBA

2D 3D TSV

24900480

Discovery of Selective Small Molecule ROMK Inhibitors as Potential New Mechanism Diuretics.

ACS Med Chem Lett 3: 367-372 (2012)

TBA

2D 3D TSV

24900478

The Rhodadyns, a New Class of Small Molecule Inhibitors of Dynamin GTPase Activity.

ACS Med Chem Lett 3: 352-356 (2012)

TBA

2D 3D TSV

24900475

A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.

ACS Med Chem Lett 3: 342-346 (2012)

TBA

2D 3D TSV

24900474

Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine.

ACS Med Chem Lett 3: 337-341 (2012)

TBA

2D 3D TSV

24900473

Discovery of MK-5172, a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor.

ACS Med Chem Lett 3: 332-6 (2012)

Merck Research Laboratories

2D 3D TSV

24900466

Stimulation of Glucose-Dependent Insulin Secretion by a Potent, Selective sst3 Antagonist.

ACS Med Chem Lett 3: 289-293 (2012)

TBA

2D 3D TSV

24900464

Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.

ACS Med Chem Lett 3: 278-283 (2012)

TBA

2D 3D TSV

24900463

Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.

ACS Med Chem Lett 3: 273-277 (2012)

TBA

2D 3D TSV

24900461

Discovery of MK-7725, A Potent, Selective Bombesin Receptor Subtype-3 Agonist for the Treatment of Obesity.

ACS Med Chem Lett 3: 252-256 (2012)

TBA

2D 3D TSV

24900459

NOpiates: Novel Dual Action Neuronal Nitric Oxide Synthase Inhibitors with �-Opioid Agonist Activity.

ACS Med Chem Lett 3: 227-231 (2012)

TBA

2D 3D TSV

24900458

Discovery of a Novel Class of Bicyclo[3.1.0]hexanylpiperazines as Noncompetitive Neuropeptide Y Y1 Antagonists.

ACS Med Chem Lett 3: 222-226 (2012)

TBA

2D 3D TSV

24900457

Mitigating hERG Inhibition: Design of Orally Bioavailable CCR5 Antagonists as Potent Inhibitors of R5 HIV-1 Replication.

ACS Med Chem Lett 3: 216-221 (2012)

TBA

2D 3D TSV

24900456

Discovery and Development of Potent LFA-1/ICAM-1 Antagonist SAR 1118 as an Ophthalmic Solution for Treating Dry Eye.

ACS Med Chem Lett 3: 203-206 (2012)

TBA

2D 3D TSV

24900455

Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.

ACS Med Chem Lett 3: 187-192 (2012)

TBA

2D 3D TSV

24900454

The First Dual ChE/FAAH Inhibitors: New Perspectives for Alzheimer's Disease?

ACS Med Chem Lett 3: 182-186 (2012)

TBA

2D 3D TSV

24900450

Discovery of a potent thiadiazole class of histamine h3 receptor antagonist for the treatment of diabetes.

ACS Med Chem Lett 3: 198-202 (2012)

TBA

2D 3D TSV

24900449

BACE1 Inhibitor Peptides: Can an Infinitely Small k cat Value Turn the Substrate of an Enzyme into Its Inhibitor?

ACS Med Chem Lett 3: 193-197 (2012)

TBA

2D 3D TSV

24900447

Discovery of Natural Phenols as G Protein-Coupled Receptor-35 (GPR35) Agonists.

ACS Med Chem Lett 3: 165-169 (2012)

TBA

2D 3D TSV

24900446

Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.

ACS Med Chem Lett 3: 159-164 (2012)

TBA

2D 3D TSV

24900445

Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering.

ACS Med Chem Lett 3: 155-158 (2012)

TBA

2D 3D TSV

24900443

Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.

ACS Med Chem Lett 3: 140-145 (2012)

TBA

2D 3D TSV

158

24900442

Discovery of a Novel Series of CHK1 Kinase Inhibitors with a Distinctive Hinge Binding Mode.

ACS Med Chem Lett 3: 123-128 (2012)

TBA

2D 3D TSV

24900440

Application of MM-GB/SA and WaterMap to SRC Kinase Inhibitor Potency Prediction.

ACS Med Chem Lett 3: 94-99 (2012)

TBA

2D 3D TSV

24900439

Synthesis and biological evaluation of cyclic sulfamide derivatives as 11�-hydroxysteroid dehydrogenase 1 inhibitors.

ACS Med Chem Lett 3: 88-93 (2012)

TBA

2D 3D TSV

24900437

Discovery of CX-6258. A Potent, Selective, and Orally Efficacious pan-Pim Kinases Inhibitor.

ACS Med Chem Lett 3: 135-139 (2012)

TBA

2D 3D TSV

24900436

Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened.

ACS Med Chem Lett 3: 106-111 (2012)

TBA

2D 3D TSV

24900435

Discovery of a Potent Dihydrooxadiazole Series of Non-ATP-Competitive MK2 (MAPKAPK2) Inhibitors.

ACS Med Chem Lett 3: 100-105 (2012)

TBA

2D 3D TSV

24900432

Identification of Potent, Selective, Cell-Active Inhibitors of the Histone Lysine Methyltransferase EZH2.

ACS Med Chem Lett 3: 1091-1096 (2012)

TBA

2D 3D TSV

24900430

Identification of amides as carboxylic Acid surrogates for quinolizidinone-based m1 positive allosteric modulators.

ACS Med Chem Lett 3: 1070-1074 (2012)

TBA

2D 3D TSV

24900428

Structure-Based Design of Potent and Selective CK1� Inhibitors.

ACS Med Chem Lett 3: 1059-1064 (2012)

TBA

2D 3D TSV

24900427

Inhibitors of the NAD(+)-Dependent Protein Desuccinylase and Demalonylase Sirt5.

ACS Med Chem Lett 3: 1050-1053 (2012)

TBA

2D 3D TSV

24900426

A new approach to explore the binding space of polysaccharide-based ligands: selectin antagonists.

ACS Med Chem Lett 3: 1045-1049 (2012)

TBA

2D 3D TSV

24900425

Discovery of a 4-Azetidinyl-1-thiazoyl-cyclohexane CCR2 Antagonist as a Development Candidate.

ACS Med Chem Lett 3: 1039-1044 (2012)

TBA

2D 3D TSV

24900424

SAR Development of Lysine-Based Irreversible Inhibitors of Transglutaminase 2 for Huntington's Disease.

ACS Med Chem Lett 3: 1024-1028 (2012)

TBA

2D 3D TSV

24900421

Discovery of AC710, a Globally Selective Inhibitor of Platelet-Derived Growth Factor Receptor-Family Kinases.

ACS Med Chem Lett 3: 997-1002 (2012)

TBA

2D 3D TSV

24900419

Peptides and Pseudopeptides as SIRT6 Deacetylation Inhibitors.

ACS Med Chem Lett 3: 969-974 (2012)

TBA

2D 3D TSV

24900417

Development of Synthetic Aminopeptidase N/CD13 Inhibitors to Overcome Cancer Metastasis and Angiogenesis.

ACS Med Chem Lett 3: 959-964 (2012)

TBA

2D 3D TSV

24900416

GPR119 Modulators for the Treatment of Diabetes, Obesity, and Related Diseases: Patent Highlight.

ACS Med Chem Lett 3: 955-958 (2012)

TBA

2D 3D TSV

24900410

Evaluation of [(11)C]N-Methyl Lansoprazole as a Radiopharmaceutical for PET Imaging of Tau Neurofibrillary Tangles.

ACS Med Chem Lett 3: 936-941 (2012)

TBA

2D 3D TSV

24900409

Synthesis and SAR Studies of Fused Oxadiazines as ?-Secretase Modulators for Treatment of Alzheimer's Disease.

ACS Med Chem Lett 3: 931-5 (2012)

Merck Research Laboratory

2D 3D TSV

24900408

Nonpeptidic lysosomal modulators derived from z-phe-ala-diazomethylketone for treating protein accumulation diseases.

ACS Med Chem Lett 3: 920-924 (2012)

TBA

2D 3D TSV

24900407

Neuroprotective Tri- and Tetracyclic BChE Inhibitors Releasing Reversible Inhibitors upon Carbamate Transfer.

ACS Med Chem Lett 3: 914-919 (2012)

TBA

2D 3D TSV

24900406

Initial Optimization of a New Series of ?-Secretase Modulators Derived from a Triterpene Glycoside.

ACS Med Chem Lett 3: 908-13 (2012)

Satori Pharmaceuticals, Inc.

2D 3D TSV

24900404

Discovery of SCH 900229, a Potent Presenilin 1 Selective �-Secretase Inhibitor for the Treatment of Alzheimer's Disease.

ACS Med Chem Lett 3: 892-896 (2012)

TBA

2D 3D TSV

24900403

A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of �-Secretase.

ACS Med Chem Lett 3: 886-891 (2012)

TBA

2D 3D TSV

24900400

Benzenesulfonyl and Benzenesulfonamide as Modulators of the 5-HT6 Receptor: Patent Highlight.

ACS Med Chem Lett 3: 881-2 (2012)

Dart Neuroscience LLC

2D 3D TSV

24900399

Novel and selective inhibitors of histone deacetylase: patent highlight.

ACS Med Chem Lett 3: 879-80 (2012)

Dart Neuroscience LLC

2D 3D TSV

24900397

Compounds and Their Use as BACE Inhibitors: Patent Highlight.

ACS Med Chem Lett 3: 875-876 (2012)

TBA

2D 3D TSV

24900396

5-Amino-oxazepine and 5-Amino-thiazepine Compounds as �-Secretase Antagonists and Methods of Use: Patent Highlight.

ACS Med Chem Lett 3: 873-874 (2012)

TBA

2D 3D TSV

24900395

BACE-Inhibitors: Potential Treatment of Alzheimer Disease, Dementia, and Related Neurodegenerative Diseases. C. Spiro-Heterocyclic Derivatives: Patent Highlight.

ACS Med Chem Lett 3: 871-872 (2012)

TBA

2D 3D TSV

24900394

BACE Inhibitors: Potential Treatment of Alzheimer's Disease, Dementia, and Related Neurodegenerative Disorders (B): 3-Amino-4-fluoro-1H-isoindol Derivatives: Patent Highlight.

ACS Med Chem Lett 3: 869-870 (2012)

TBA

2D 3D TSV

24900393

BACE Inhibitors: Potential Treatment of Alzheimer's Disease, Dementia, and Related Neurodegenerative Disorders (A): 5,6-Dihydroimidazo[1,2-a]pyrazin-8-yl-amine Derivatives: Patent Highlight.

ACS Med Chem Lett 3: 867-868 (2012)

TBA

2D 3D TSV

24900389

Discovery of the First Potent Inhibitors of Mutant IDH1 That Lower Tumor 2-HG in Vivo.

ACS Med Chem Lett 3: 850-855 (2012)

TBA

2D 3D TSV

24900387

Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.

ACS Med Chem Lett 3: 834-838 (2012)

TBA

2D 3D TSV

24900385

Aryl Piperazinyl Ureas as Inhibitors of Fatty Acid Amide Hydrolase (FAAH) in Rat, Dog, and Primate.

ACS Med Chem Lett 3: 823-827 (2012)

TBA

2D 3D TSV

24900382

Discovery of 2-Alkyl-1-arylsulfonylprolinamides as 11�-Hydroxysteroid Dehydrogenase Type 1 Inhibitors.

ACS Med Chem Lett 3: 793-798 (2012)

TBA

2D 3D TSV

24900381

Selective Dual Inhibitors of the Cancer-Related Deubiquitylating Proteases USP7 and USP47.

ACS Med Chem Lett 3: 789-792 (2012)

TBA

2D 3D TSV

24900380

Novel compounds for the treatment of neurodegenerative diseases: patent highlight.

ACS Med Chem Lett 3: 788-788 (2012)

TBA

2D 3D TSV

24900376

Combatting Drug-Resistant Bacteria with Gyrase and Topoisomerase IV Inhibitors: Patent Highlight.

ACS Med Chem Lett 3: 783-784 (2012)

TBA

2D 3D TSV

24900375

Factor D Inhibitors for the Treatment of AMD: Patent Highlight.

ACS Med Chem Lett 3: 781-782 (2012)

TBA

2D 3D TSV

24900374

Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core.

ACS Med Chem Lett 3: 74-78 (2012)

TBA

2D 3D TSV

24900372

Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia.

ACS Med Chem Lett 3: 63-68 (2012)

TBA

2D 3D TSV

24900371

(18)F-labeled phenyldiazenyl benzothiazole for in vivo imaging of neurofibrillary tangles in Alzheimer's disease brains.

ACS Med Chem Lett 3: 58-62 (2012)

TBA

2D 3D TSV

24900367

Proposed Bioactive Conformations of Opiorphin, an Endogenous Dual APN/NEP Inhibitor.

ACS Med Chem Lett 3: 20-24 (2012)

TBA

2D 3D TSV

24900366

Prodrugs of a CXC Chemokine-12 (CXCL12) Neutraligand Prevent Inflammatory Reactions in an Asthma Model in Vivo.

ACS Med Chem Lett 3: 10-14 (2012)

TBA

2D 3D TSV

24900364

Optimization of Potent Inhibitors of P. falciparum Dihydroorotate Dehydrogenase for the Treatment of Malaria.

ACS Med Chem Lett 2: 708-713 (2011)

TBA

2D 3D TSV

24900362

A Novel (18)F-Labeled Imidazo[2,1-b]benzothiazole (IBT) for High-Contrast PET Imaging of ?-Amyloid Plaques.

ACS Med Chem Lett 2: 673-7 (2011)

Technische Universit£t M£nchen

2D 3D TSV

24900361

Exploring aigialomycin d and its analogues as protein kinase inhibitors for cancer targets.

ACS Med Chem Lett 2: 662-666 (2011)

TBA

2D 3D TSV

24900360

Synthesis and Cardiac Imaging of (18)F-Ligands Selective for �1-Adrenoreceptors.

ACS Med Chem Lett 2: 650-655 (2011)

TBA

2D 3D TSV

24900359

Optimization of the Central Core of Indolinone-Acetic Acid-Based CRTH2 (DP2) Receptor Antagonists.

ACS Med Chem Lett 2: 644-649 (2011)

TBA

2D 3D TSV

24900358

Discovery and Hit-to-Lead Optimization of Non-ATP Competitive MK2 (MAPKAPK2) Inhibitors.

ACS Med Chem Lett 2: 632-637 (2011)

TBA

2D 3D TSV

24900357

The myo-1,2-Diaminocyclitol Scaffold Defines Potent Glucocerebrosidase Activators and Promising Pharmacological Chaperones for Gaucher Disease.

ACS Med Chem Lett 2: 614-619 (2011)

TBA

2D 3D TSV

24900353

Combination of a Beta adrenoceptor modulator and a norepinephrine-serotonin uptake inhibitor for the treatment of obesity.

ACS Med Chem Lett 2: 583-586 (2011)

TBA

2D 3D TSV

24900351

Bivalent Ligands for the Serotonin 5-HT3 Receptor.

ACS Med Chem Lett 2: 571-576 (2011)

TBA

2D 3D TSV

24900349

Optimization of the First Selective Steroid-11�-hydroxylase (CYP11B1) Inhibitors for the Treatment of Cortisol Dependent Diseases.

ACS Med Chem Lett 2: 559-564 (2011)

TBA

2D 3D TSV

24900346

Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.

ACS Med Chem Lett 2: 538-543 (2011)

TBA

2D 3D TSV

24900345

Structure-Activity Relationship Studies of HIV-1 Integrase Oligonucleotide Inhibitors.

ACS Med Chem Lett 2: 532-7 (2011)

Lomonosov Moscow State University

2D 3D TSV

24900342

Assessment of partially deoxygenated deoxynojirimycin derivatives as glucosylceramide synthase inhibitors.

ACS Med Chem Lett 2: 519-522 (2011)

TBA

2D 3D TSV

106

24900341

Benzodiazepinone Derivatives as CRTH2 Antagonists.

ACS Med Chem Lett 2: 515-518 (2011)

TBA

2D 3D TSV

24900340

N-Methylated sst2 Selective Somatostatin Cyclic Peptide Analogue as a Potent Candidate for Treating Neurogenic Inflammation.

ACS Med Chem Lett 2: 509-514 (2011)

TBA

2D 3D TSV

24900338

Synthesis and Evaluation of 5-Fluoro-2-aryloxazolo[5,4-b]pyridines as ?-Amyloid PET Ligands and Identification of MK-3328.

ACS Med Chem Lett 2: 498-502 (2011)

Merck Research Laboratories

2D 3D TSV

24900335

Ranking high affinity ligands of low solubility by NMR spectroscopy.

ACS Med Chem Lett 2: 485-487 (2011)

TBA

2D 3D TSV

24900334

N-Pyridyl and Pyrimidine Benzamides as KCNQ2/Q3 Potassium Channel Openers for the Treatment of Epilepsy.

ACS Med Chem Lett 2: 481-484 (2011)

TBA

2D 3D TSV

24900333

Potent CXCR4 antagonists containing amidine type Peptide bond isosteres.

ACS Med Chem Lett 2: 477-480 (2011)

TBA

2D 3D TSV

24900331

Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors.

ACS Med Chem Lett 2: 461-5 (2011)

University of Southampton

2D 3D TSV

24900330

The impact of ionization States of matrix metalloproteinase inhibitors on docking-based inhibitor design.

ACS Med Chem Lett 2: 455-460 (2011)

TBA

2D 3D TSV

24900329

Discovery of INCB3284, a Potent, Selective, and Orally Bioavailable hCCR2 Antagonist.

ACS Med Chem Lett 2: 450-454 (2011)

TBA

2D 3D TSV

24900325

Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases.

ACS Med Chem Lett 2: 428-432 (2011)

TBA

2D 3D TSV

24900324

Discovery of substituted biphenyl oxazolidinone inhibitors of cholesteryl ester transfer protein.

ACS Med Chem Lett 2: 424-427 (2011)

TBA

2D 3D TSV

24900321

Discovery of PF-04620110, a Potent, Selective, and Orally Bioavailable Inhibitor of DGAT-1.

ACS Med Chem Lett 2: 407-412 (2011)

TBA

2D 3D TSV

24900320

Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.

ACS Med Chem Lett 2: 402-406 (2011)

TBA

2D 3D TSV

24900318

Discovery of CS-0777: A Potent, Selective, and Orally Active S1P1 Agonist.

ACS Med Chem Lett 2: 368-372 (2011)

TBA

2D 3D TSV

24900317

Indomethacin Analogues that Enhance Doxorubicin Cytotoxicity in Multidrug Resistant Cells without Cox Inhibitory Activity.

ACS Med Chem Lett 2: 353-357 (2011)

TBA

2D 3D TSV

24900315

Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.

ACS Med Chem Lett 2: 342-7 (2011)

Array BioPharma

2D 3D TSV

24900313

Discovery of AMG 853, a CRTH2 and DP Dual Antagonist.

ACS Med Chem Lett 2: 326-330 (2011)

TBA

2D 3D TSV

24900305

Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors

ACS Med Chem Lett 2: 219-223 (2011)

TBA

2D 3D TSV

24900302

Hybrid Dual Aromatase-Steroid Sulfatase Inhibitors with Exquisite Picomolar Inhibitory Activity

ACS Med Chem Lett 2: 243-247 (2011)

TBA

2D 3D TSV

24900301

Discovery of a Potent and Short−Acting Oral Calcilytic with a Pulsatile Secretion of Parathyroid Hormone

ACS Med Chem Lett 2: 238-242 (2011)

TBA

2D 3D TSV

24900298

Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A_2B Adenosine Receptor Antagonist

ACS Med Chem Lett 2: 213-218 (2011)

TBA

2D 3D TSV

100

24900297

Synthesis and SAR of Thiazolylmethylphenyl Glucoside as Novel C-Aryl Glucoside SGLT2 Inhibitors

ACS Med Chem Lett 2: 182-187 (2011)

TBA

2D 3D TSV

24900296

Sulfonate-Containing Thiiranes as Selective Gelatinase Inhibitors

ACS Med Chem Lett 2: 177-181 (2011)

TBA

2D 3D TSV

24900295

Discovery of a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia

ACS Med Chem Lett 2: 171-176 (2011)

TBA

2D 3D TSV

24900294

Novel 3-Aryl Indoles as Progesterone Receptor Antagonists for Uterine Fibroids

ACS Med Chem Lett 2: 148-153 (2011)

TBA

2D 3D TSV

24900293

Discovery of novel cyanamide-based inhibitors of cathepsin C.

ACS Med Chem Lett 2: 142-147 (2011)

TBA

2D 3D TSV

24900292

TSPO 18 kDa (PBR) Targeted Photosensitizers for Cancer Imaging (PET) and PDT.

ACS Med Chem Lett 2: 136-141 (2011)

TBA

2D 3D TSV

24900290

Design, Synthesis, and Preclinical Characterization of the Selective Androgen Receptor Modulator (SARM) RAD140

ACS Med Chem Lett 2: 124-129 (2011)

TBA

2D 3D TSV

24900289

Identification of Potent and Selective Glucosylceramide Synthase Inhibitors from a Library of N-Alkylated Iminosugars

ACS Med Chem Lett 2: 119-123 (2011)

TBA

2D 3D TSV

155

24900288

Discovery of AMG 369, a Thiazolo[5,4-b]pyridine Agonist of S1P₁ and S1P₅

ACS Med Chem Lett 2: 107-112 (2011)

TBA

2D 3D TSV

24900287

Discovery of a Potent, S1P₃-Sparing Benzothiazole Agonist of Sphingosine-1-Phosphate Receptor 1 (S1P₁)

ACS Med Chem Lett 2: 102-106 (2011)

TBA

2D 3D TSV

24900286

Benzofuran Derivatives as Potent, Orally Active S1P₁ Receptor Agonists: A Preclinical Lead Molecule for MS

ACS Med Chem Lett 2: 97-101 (2011)

TBA

2D 3D TSV

24900284

Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.

ACS Med Chem Lett 2: 938-942 (2011)

TBA

2D 3D TSV

129

24900283

Discovery of benzodiazepine sulfonamide-based bombesin receptor subtype 3 agonists and their unusual chirality.

ACS Med Chem Lett 2: 933-937 (2011)

TBA

2D 3D TSV

24900281

Potent and Selective Inhibitors of Long Chain l-2-Hydroxy Acid Oxidase Reduced Blood Pressure in DOCA Salt-Treated Rats.

ACS Med Chem Lett 2: 919-923 (2011)

TBA

2D 3D TSV

24900280

Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist.

ACS Med Chem Lett 2: 913-918 (2011)

TBA

2D 3D TSV

24900278

Discovery of a Potent Retinoid X Receptor Antagonist Structurally Closely Related to RXR Agonist NEt-3IB.

ACS Med Chem Lett 2: 896-900 (2011)

TBA

2D 3D TSV

24900277

Development of Polar Adenosine A2A Receptor Agonists for Inflammatory Bowel Disease: Synergism with A2B Antagonists.

ACS Med Chem Lett 2: 890-895 (2011)

TBA

2D 3D TSV

24900275

Identification of a Potent and Selective Cannabinoid CB1 Receptor Antagonist from Auxarthron reticulatum.

ACS Med Chem Lett 2: 866-869 (2011)

TBA

2D 3D TSV

24900272

Homology Model and Docking-Based Virtual Screening for Ligands of the s1 Receptor.

ACS Med Chem Lett 2: 834-839 (2011)

TBA

2D 3D TSV

24900270

Synthesis and Evaluation of the Metabolites of AMG 221, a Clinical Candidate for the Treatment of Type 2 Diabetes.

ACS Med Chem Lett 2: 824-827 (2011)

TBA

2D 3D TSV

24900269

Highly Selective and Potent Thiophenes as PI3K Inhibitors with Oral Antitumor Activity.

ACS Med Chem Lett 2: 809-813 (2011)

TBA

2D 3D TSV

24900268

Mannitol Bis-phosphate Based Inhibitors of Fructose 1,6-Bisphosphate Aldolases.

ACS Med Chem Lett 2: 804-808 (2011)

TBA

2D 3D TSV

24900267

Discovery of BIIB042, a Potent, Selective, and Orally Bioavailable �-Secretase Modulator.

ACS Med Chem Lett 2: 786-791 (2011)

TBA

2D 3D TSV

24900266

Identification of NVP-BKM120 as a Potent, Selective, Orally Bioavailable Class I PI3 Kinase Inhibitor for Treating Cancer.

ACS Med Chem Lett 2: 774-779 (2011)

TBA

2D 3D TSV

24900264

The Discovery of VX-745: A Novel and Selective p38a Kinase Inhibitor.

ACS Med Chem Lett 2: 758-763 (2011)

TBA

2D 3D TSV

106

24900263

4-Methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide: A Potent and Selective Agonist of S1P1.

ACS Med Chem Lett 2: 752-757 (2011)

TBA

2D 3D TSV

24900262

Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.

ACS Med Chem Lett 2: 747-751 (2011)

TBA

2D 3D TSV

24900258

3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors.

ACS Med Chem Lett 2: 720-723 (2011)

TBA

2D 3D TSV

24900256

Development of Selective LH Receptor Agonists by Heterodimerization with a FSH Receptor Antagonist

ACS Med Chem Lett 2: 85-89 (2011)

TBA

2D 3D TSV

24900255

Benzimidazoles as Potent and Orally Active mGlu5 Receptor Antagonists with an Improved PK Profile

ACS Med Chem Lett 2: 58-62 (2011)

TBA

2D 3D TSV

24900254

Activation of Neuropeptide FF Receptors by Kisspeptin Receptor Ligands.

ACS Med Chem Lett 2: 53-57 (2011)

TBA

2D 3D TSV

24900253

Discovery of MK-5046, a Potent, Selective Bombesin Receptor Subtype-3 Agonist for the Treatment of Obesity

ACS Med Chem Lett 2: 43-47 (2011)

TBA

2D 3D TSV

24900252

Synthesis and in Vitro and in Vivo Evaluation of Phosphoinositide-3-kinase Inhibitors

ACS Med Chem Lett 2: 34-38 (2011)

TBA

2D 3D TSV

24900250

Kinase Inhibition by Deoxy Analogues of the Resorcylic Lactone L-783277

ACS Med Chem Lett 2: 22-27 (2011)

TBA

2D 3D TSV

24900248

Novel Cyclic Phosphinic Acids as GABA_C ρ Receptor Antagonists: Design, Synthesis, and Pharmacology

ACS Med Chem Lett 2: 11-16 (2011)

TBA

2D 3D TSV

24900247

First Selective CYP11B1 Inhibitors for the Treatment of Cortisol-Dependent Diseases

ACS Med Chem Lett 2: 2-6 (2011)

TBA

2D 3D TSV

24900244

Facile synthesis of a fluorescent cyclosporin a analogue to study cyclophilin 40 and cyclophilin 18 ligands.

ACS Med Chem Lett 1: 536-539 (2010)

TBA

2D 3D TSV

24900243

Design, Synthesis, and in Vitro Evaluation of Novel Aminomethyl-pyridines as DPP-4 Inhibitors.

ACS Med Chem Lett 1: 530-535 (2010)

TBA

2D 3D TSV

24900242

Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.

ACS Med Chem Lett 1: 526-529 (2010)

TBA

2D 3D TSV

24900241

Modification at the Lipophilic Domain of RXR Agonists Differentially Influences Activation of RXR Heterodimers.

ACS Med Chem Lett 1: 521-525 (2010)

TBA

2D 3D TSV

24900240

Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR.

ACS Med Chem Lett 1: 510-515 (2010)

TBA

2D 3D TSV

24900239

Short-acting T-type calcium channel antagonists significantly modify sleep architecture in rodents.

ACS Med Chem Lett 1: 504-509 (2010)

TBA

2D 3D TSV

24900237

Discovery of a potent inhibitor of anaplastic lymphoma kinase with in vivo antitumor activity.

ACS Med Chem Lett 1: 493-498 (2010)

TBA

2D 3D TSV

24900236

Discovery of Dual VEGFR-2 and Tubulin Inhibitors with in Vivo Efficacy.

ACS Med Chem Lett 1: 488-492 (2010)

TBA

2D 3D TSV

24900235

Discovery of INCB9471, a Potent, Selective, and Orally Bioavailable CCR5 Antagonist with Potent Anti-HIV-1 Activity.

ACS Med Chem Lett 1: 483-487 (2010)

TBA

2D 3D TSV

24900233

Discovery of omecamtiv mecarbil the first, selective, small molecule activator of cardiac Myosin.

ACS Med Chem Lett 1: 472-477 (2010)

TBA

2D 3D TSV

24900231

Identification of Niclosamide as a New Small-Molecule Inhibitor of the STAT3 Signaling Pathway.

ACS Med Chem Lett 1: 454-459 (2010)

TBA

2D 3D TSV

24900229

Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.

ACS Med Chem Lett 1: 439-442 (2010)

TBA

2D 3D TSV

24900227

Exploring a7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB.

ACS Med Chem Lett 1: 422-426 (2010)

TBA

2D 3D TSV

24900226

From taxuspine x to structurally simplified taxanes with remarkable p-glycoprotein inhibitory activity.

ACS Med Chem Lett 1: 416-421 (2010)

TBA

2D 3D TSV

24900225

Antiproliferative and differentiating activities of a novel series of histone deacetylase inhibitors.

ACS Med Chem Lett 1: 411-5 (2010)

Menarini Ricerche S.p.A.

2D 3D TSV

24900220

Identification of a New Series of STAT3 Inhibitors by Virtual Screening.

ACS Med Chem Lett 1: 371-375 (2010)

TBA

2D 3D TSV

24900218

Identification of an Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1.

ACS Med Chem Lett 1: 350-354 (2010)

TBA

2D 3D TSV

24900217

Structure-Activity Study of Dihydrocinnamic Acids and Discovery of the Potent FFA1 (GPR40) Agonist TUG-469.

ACS Med Chem Lett 1: 345-349 (2010)

TBA

2D 3D TSV

24900216

Novel and Potent 5-Piperazinyl Methyl-N 1-aryl Sulfonyl Indole Derivatives as 5-HT6 Receptor Ligands.

ACS Med Chem Lett 1: 340-344 (2010)

TBA

2D 3D TSV

24900213

Novel 3-Oxazolidinedione-6-aryl-pyridinones as Potent, Selective, and Orally Active EP3 Receptor Antagonists.

ACS Med Chem Lett 1: 316-320 (2010)

TBA

2D 3D TSV

24900210

Discovery of TAK-875: A Potent, Selective, and Orally Bioavailable GPR40 Agonist.

ACS Med Chem Lett 1: 290-294 (2010)

TBA

2D 3D TSV

24900209

Synthesis and Biochemical Testing of 3-(Carboxyphenylethyl)imidazo[2,1-f][1,2,4]triazines as Inhibitors of AMP Deaminase.

ACS Med Chem Lett 1: 286-289 (2010)

TBA

2D 3D TSV

24900206

Quinolizidinone carboxylic acids as CNS penetrant, selective m1 allosteric muscarinic receptor modulators.

ACS Med Chem Lett 1: 263-267 (2010)

TBA

2D 3D TSV

24900205

Synthesis and Biological Evaluation of Muraymycin Analogues Active against Anti-Drug-Resistant Bacteria.

ACS Med Chem Lett 1: 258-262 (2010)

TBA

2D 3D TSV

24900203

Development of Fluorescent Ligands for the Human 5-HT1A Receptor.

ACS Med Chem Lett 1: 249-253 (2010)

TBA

2D 3D TSV

24900202

Novel N-Substituted Benzimidazolones as Potent, Selective, CNS-Penetrant, and Orally Active M1 mAChR Agonists.

ACS Med Chem Lett 1: 244-248 (2010)

TBA

2D 3D TSV

24899257

Novel pyridyl- or isoquinolinyl-substituted indolines and indoles as potent and selective aldosterone synthase inhibitors.

J Med Chem 57: 5179-89 (2014)

Saarland University

2D 3D TSV

24894560

Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation.

Bioorg Med Chem Lett 24: 3142-5 (2014)

Sungkyunkwan University

2D 3D TSV

24893124

Development of synthetic lethality anticancer therapeutics.

J Med Chem 57: 7859-73 (2014)

The University of Texas M.D. Anderson Cancer Center

2D 3D TSV

24891505

Two amino acid residues confer different binding affinities of Abelson family kinase SRC homology 2 domains for phosphorylated cortactin.

J Biol Chem 289: 19704-13 (2014)

Yale University

2D 3D TSV

24890653

Catechol-rhodanine derivatives: Specific and promiscuous inhibitors of Escherichia coli deoxyxylulose phosphate reductoisomerase (DXR).

Bioorg Med Chem 22: 3713-9 (2014)

University of Strasburg

2D 3D TSV

24890652

The design and discovery of water soluble 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multitargeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents.

Bioorg Med Chem 22: 3753-72 (2014)

Duquesne University

2D 3D TSV

24890090

Thiazolidine-2,4-diones derivatives as PPAR-� agonists: synthesis, molecular docking, in vitro and in vivo antidiabetic activity with hepatotoxicity risk evaluation and effect on PPAR-� gene expression.

Bioorg Med Chem Lett 24: 3034-42 (2014)

Jamia Hamdard (Hamdard University)

2D 3D TSV

24889744

Identification of 1, 4-Dihydrothieno [3', 2':5, 6]thiopyrano[4, 3-c] pyrazole derivatives as human 5-Lipo-oxygenase inhibitors.

Chem Biol Drug Des 84: 642-7 (2014)

Peking University

2D 3D TSV

24884780

Structure guided design and kinetic analysis of highly potent benzimidazole inhibitors targeting the PDEd prenyl binding site.

J Med Chem 57: 5435-48 (2014)

Max Planck Institute of Molecular Physiology

2D 3D TSV

24884675

Discovery, optimization, and biological evaluation of 5-(2-(trifluoromethyl)phenyl)indazoles as a novel class of transient receptor potential A1 (TRPA1) antagonists.

J Med Chem 57: 5129-40 (2014)

Genomics Institute of the Novartis Research Foundation

2D 3D TSV

24884590

Discovery of the first potent and orally available agonist of the orphan G-protein-coupled receptor 52.

J Med Chem 57: 5226-37 (2014)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

24883177

Synthesis and evaluation of novel cyclic Peptide inhibitors of lysine-specific demethylase 1.

ACS Med Chem Lett 5: 29-33 (2014)

Medical University of South Carolina

2D 3D TSV

24882676

Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: design, synthesis and evaluation as antibacterial agent.

Bioorg Med Chem 22: 3620-8 (2014)

Jishou University

2D 3D TSV

24882675

Design, synthesis and biological evaluation of novel 6,7-disubstituted-4-phenoxyquinoline derivatives bearing 4-oxo-3,4-dihydrophthalazine-1-carboxamide moieties as c-Met kinase inhibitors.

Bioorg Med Chem 22: 3642-53 (2014)

Shenyang Pharmaceutical University

2D 3D TSV

24881567

Towards the next generation of dual Bcl-2/Bcl-xL inhibitors.

Bioorg Med Chem Lett 24: 3026-33 (2014)

AstraZeneca

2D 3D TSV

24881566

Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120).

Bioorg Med Chem Lett 24: 3100-3 (2014)

GlaxoSmithKline

2D 3D TSV

140

24881565

Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors.

Bioorg Med Chem Lett 24: 3018-22 (2014)

Bristol-Myers Squibb Research and Development

2D 3D TSV

24880903

Discovery of a series of aryl-N-(3-(alkylamino)-5-(trifluoromethyl)phenyl)benzamides as TRPA1 antagonists.

Bioorg Med Chem Lett 24: 3204-6 (2014)

AstraZeneca

2D 3D TSV

24880902

Structure-activity relationship and interaction studies of new SIRT1 inhibitors with the scaffold of 3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Bioorg Med Chem Lett 24: 3050-6 (2014)

Chinese Academy of Sciences

2D 3D TSV

24880489

Novel synthesis of dihydropyrimidines for a-glucosidase inhibition to treat type 2 diabetes: in vitro biological evaluation and in silico docking.

Bioorg Chem 54: 96-104 (2014)

COMSATS Institute of Information Technology

2D 3D TSV

24880232

Inhibition of Enterococcus faecalis biofilm formation by highly active lactones and lactams analogues of rubrolides.

Eur J Med Chem 82: 127-38 (2014)

Federal University of Vi£osa

2D 3D TSV

24878638

Thiosemicarbazide, a fragment with promising indolamine-2,3-dioxygenase (IDO) inhibition properties.

Eur J Med Chem 82: 96-105 (2014)

University of Namur (UNamur)

2D 3D TSV

24878360

Carbonic anhydrase inhibitors: Synthesis, molecular docking, cytotoxic and inhibition of the human carbonic anhydrase isoforms I, II, IX, XII with novel benzenesulfonamides incorporating pyrrole, pyrrolopyrimidine and fused pyrrolopyrimidine moieties.

Bioorg Med Chem 22: 3684-95 (2014)

King Saud University

2D 3D TSV

24878269

Novel aza-analogous ergoline derived scaffolds as potent serotonin 5-HT6 and dopamine D2 receptor ligands.

J Med Chem 57: 5823-8 (2014)

University of Copenhagen

2D 3D TSV

24878222

Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT2C) receptor agonists with exquisite functional selectivity over 5-HT2A and 5-HT2B receptors.

J Med Chem 57: 5258-69 (2014)

Pfizer Inc

2D 3D TSV

24878198

Naturally occurring polyphenolic inhibitors of amyloid beta aggregation.

Bioorg Med Chem Lett 24: 3108-12 (2014)

CSIRO Manufacturing Flagship (Biomedical)

2D 3D TSV

24878193

Design, synthesis and biological evaluation of benzyl 2-(1H-imidazole-1-yl) pyrimidine analogues as selective and potent Raf inhibitors.

Bioorg Med Chem Lett 24: 3600-4 (2014)

Hanyang University

2D 3D TSV

24874895

Lead optimization of 1,4-azaindoles as antimycobacterial agents.

J Med Chem 57: 5728-37 (2014)

AstraZeneca

2D 3D TSV

24874785

New, potent, and selective peptidic oxytocin receptor agonists.

J Med Chem 57: 5306-17 (2014)

Ferring Research Institute Inc.

2D 3D TSV

333

24874438

Design, synthesis, and structure-activity relationship studies of novel thioether pleuromutilin derivatives as potent antibacterial agents.

J Med Chem 57: 4772-95 (2014)

Chinese Academy of Sciences

2D 3D TSV

24872411

Structure of REV-ERB� ligand-binding domain bound to a porphyrin antagonist.

J Biol Chem 289: 20054-66 (2014)

The Scripps Research Institute

2D 3D TSV

24871996

Carbonic anhydrase inhibitors. Synthesis of a novel series of 5-substituted 2,4-dichlorobenzenesulfonamides and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII.

Eur J Med Chem 82: 47-55 (2014)

Medical University of Gdansk

2D 3D TSV

124

24871995

Synthesis and structure-activity relationship studies in serotonin 5-HT4 receptor ligands based on a benzo[de][2,6]naphthridine scaffold.

Eur J Med Chem 82: 36-46 (2014)

Universit£ degli Studi di Siena

2D 3D TSV

24871899

Further studies on ethyl 5-hydroxy-indole-3-carboxylate scaffold: design, synthesis and evaluation of 2-phenylthiomethyl-indole derivatives as efficient inhibitors of human 5-lipoxygenase.

Eur J Med Chem 81: 492-8 (2014)

University of Naples

2D 3D TSV

24871036

4-aminoquinolone piperidine amides: noncovalent inhibitors of DprE1 with long residence time and potent antimycobacterial activity.

J Med Chem 57: 5419-34 (2014)

AstraZeneca

2D 3D TSV

24870926

Lead optimization of a novel series of imidazo[1,2-a]pyridine amides leading to a clinical candidate (Q203) as a multi- and extensively-drug-resistant anti-tuberculosis agent.

J Med Chem 57: 5293-305 (2014)

Institut Pasteur Korea

2D 3D TSV

24867403

The discovery of Polo-like kinase 4 inhibitors: design and optimization of spiro[cyclopropane-1,3'[3H]indol]-2'(1'H).ones as orally bioavailable antitumor agents.

J Med Chem 58: 130-46 (2015)

EntreMed Inc.

2D 3D TSV

156

24867309

Dithiaarsanes induce oxidative stress-mediated apoptosis in HL-60 cells by selectively targeting thioredoxin reductase.

J Med Chem 57: 5203-11 (2014)

Lanzhou University

2D 3D TSV

24864041

Synthesis and evaluation of (E)-2-(acrylamido)cyclohex-1-enecarboxylic acid derivatives as HCA1, HCA2, and HCA3 receptor agonists.

Bioorg Med Chem 22: 3654-69 (2014)

Latvian Institute of Organic Synthesis

2D 3D TSV

24864038

Design and synthesis of novel and highly-active pan-histone deacetylase (pan-HDAC) inhibitors.

Bioorg Med Chem 22: 3720-31 (2014)

Nippon Pharmaceutical Chemicals Co., Ltd

2D 3D TSV

112

24863981

4-Benzofuranyloxynicotinamide derivatives are novel potent and orally available TGR5 agonists.

Eur J Med Chem 82: 1-15 (2014)

Chinese Academy of Sciences

2D 3D TSV

24863744

DDD-028: a potent potential non-opioid, non-cannabinoid analgesic for neuropathic and inflammatory pain.

Bioorg Med Chem Lett 24: 3088-91 (2014)

University of Missouri

2D 3D TSV

24860094

Structure of the Acinetobacter baumannii dithiol oxidase DsbA bound to elongation factor EF-Tu reveals a novel protein interaction site.

J Biol Chem 289: 19869-80 (2014)

University of Queensland

2D 3D TSV

24859762

Aromatic diacylhydrazine derivatives as a new class of polo-like kinase 1 (PLK1) inhibitors.

Eur J Med Chem 81: 420-6 (2014)

Nanjing University

2D 3D TSV

24858546

Guanidinium-based derivatives: searching for new kinase inhibitors.

Eur J Med Chem 81: 427-41 (2014)

Trinity College

2D 3D TSV

24858540

Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases.

Eur J Med Chem 81: 350-8 (2014)

Instituto de Qu£mica M£dica

2D 3D TSV

24857777

Design, synthesis and biological evaluation of hydroxy- or methoxy-substituted 5-benzylidene(thio) barbiturates as novel tyrosinase inhibitors.

Bioorg Med Chem 22: 3279-84 (2014)

China National Analytical Center (Guangzhou)

2D 3D TSV

24856674

Identification of 1-({[1-(4-fluorophenyl)-5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)cyclohexane carboxylic acid as a selective nonpeptide neurotensin receptor type 2 compound.

J Med Chem 57: 5318-32 (2014)

Research Triangle Institute

2D 3D TSV

24856614

Synthesis and pharmacological evaluation of analogues of benzyl quinolone carboxylic acid (BQCA) designed to bind irreversibly to an allosteric site of the M1 muscarinic acetylcholine receptor.

J Med Chem 57: 5405-18 (2014)

Monash University (Parkville Campus)

2D 3D TSV

24856304

New coumarin derivatives: design, synthesis and use as inhibitors of hMAO.

Bioorg Med Chem 22: 3732-8 (2014)

Anhui Medical University

2D 3D TSV

24856302

Synthesis and biological evaluation of substituted 3-anilino-quinolin-2(1H)-ones as PDK1 inhibitors.

Bioorg Med Chem 22: 3781-90 (2014)

La Trobe University

2D 3D TSV

24856185

Inhibition by active site directed covalent modification of human glyoxalase I.

Bioorg Med Chem 22: 3301-8 (2014)

University of Maryland

2D 3D TSV

24856184

Oxidation of cyanobenzocycloheptatrienes: Synthesis, photooxygenation reaction and carbonic anhydrase isoenzymes inhibition properties of some new benzotropone derivatives.

Bioorg Med Chem 22: 3537-43 (2014)

AgriIbrahim£e£en University

2D 3D TSV

24856183

Ultrapure ajulemic acid has improved CB2 selectivity with reduced CB1 activity.

Bioorg Med Chem 22: 3245-51 (2014)

Corbus Pharmaceuticals, Inc.

2D 3D TSV

24856182

Combination of cyclohexane and piperazine based�-opioid receptor agonists: Synthesis and pharmacological evaluation of trans,trans-configured perhydroquinoxalines.

Bioorg Med Chem 22: 3316-24 (2014)

Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

2D 3D TSV

24856068

Pharmacophore based virtual screening, molecular docking and biological evaluation to identify novel PDE5 inhibitors with vasodilatory activity.

Bioorg Med Chem Lett 24: 3137-41 (2014)

Banasthali University

2D 3D TSV

24856064

Discovery of N-substituted 7-azaindoline derivatives as potent, orally available M1 and M4 muscarinic acetylcholine receptors selective agonists.

Bioorg Med Chem Lett 24: 3189-93 (2014)

Dainippon Sumitomo Pharma Co., Ltd

2D 3D TSV

24856061

Targeting the homologous recombination pathway by small molecule modulators.

Bioorg Med Chem Lett 24: 3006-13 (2014)

Drexel University College of Medicine

2D 3D TSV

24856059

trans-Caryophyllene is a natural agonistic ligand for peroxisome proliferator-activated receptor-a.

Bioorg Med Chem Lett 24: 3168-74 (2014)

Korea University

2D 3D TSV

24856058

Protein-ligand interactions: probing the energetics of a putative cation-? interaction.

Bioorg Med Chem Lett 24: 3164-7 (2014)

The University of Texas

2D 3D TSV

24853323

Identification and characterization of a new reversible MAGL inhibitor.

Bioorg Med Chem 22: 3285-91 (2014)

University of Pisa

2D 3D TSV

24853320

Amino derivatives of glycyrrhetinic acid as potential inhibitors of cholinesterases.

Bioorg Med Chem 22: 3370-8 (2014)

Martin-Luther-Universit£t Halle-Wittenberg

2D 3D TSV

24852275

Design, synthesis and in vitro and in vivo antitumour activity of 3-benzylideneindolin-2-one derivatives, a novel class of small-molecule inhibitors of the MDM2-p53 interaction.

Eur J Med Chem 81: 277-88 (2014)

Chinese Academy of Medical Science and Peking Union Medical College

2D 3D TSV

24852118

Discovery of N-sulfonyl-7-azaindoline derivatives as potent, orally available and selective M(4) muscarinic acetylcholine receptor agonists.

Bioorg Med Chem Lett 24: 2909-12 (2014)

Dainippon Sumitomo Pharma Co., Ltd

2D 3D TSV

24850589

Serotonin 5-HT6 receptor antagonists for the treatment of cognitive deficiency in Alzheimer's disease.

J Med Chem 57: 7160-81 (2014)

Universidad Complutense de Madrid

2D 3D TSV

24848155

Tranylcypromine substituted cis-hydroxycyclobutylnaphthamides as potent and selective dopamine D3 receptor antagonists.

J Med Chem 57: 4962-8 (2014)

University of Michigan

2D 3D TSV

24847974

A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).

J Med Chem 57: 5459-63 (2014)

Takeda California Inc

2D 3D TSV

24847734

Design, synthesis, and structure-activity relationships of pyridoquinazolinecarboxamides as RNA polymerase I inhibitors.

J Med Chem 57: 4950-61 (2014)

Johns Hopkins University School of Medicine

2D 3D TSV

24847082

Opioid receptor function is regulated by post-endocytic peptide processing.

J Biol Chem 289: 19613-26 (2014)

Icahn School of Medicine at Mount Sinai

2D 3D TSV

24846781

Highly potent and selective ectonucleotide pyrophosphatase/phosphodiesterase I inhibitors based on an adenosine 5'-(a or�)-thio-(a,�- or�,�)-methylenetriphosphate scaffold.

J Med Chem 57: 4677-91 (2014)

Bar-Ilan University

2D 3D TSV

24844758

Synthesis and biological comparison of enantiomers of mepenzolate bromide, a muscarinic receptor antagonist with bronchodilatory and anti-inflammatory activities.

Bioorg Med Chem 22: 3488-97 (2014)

Keio University

2D 3D TSV

24844756

Synthesis and�-glucuronidase inhibitory activity of 2-arylquinazolin-4(3H)-ones.

Bioorg Med Chem 22: 3449-54 (2014)

University of Karachi

2D 3D TSV

24844534

Tetra- and pentacyclic triterpene acids from the ancient anti-inflammatory remedy frankincense as inhibitors of microsomal prostaglandin E(2) synthase-1.

J Nat Prod 77: 1445-51 (2014)

University of Tuebingen

2D 3D TSV

24844195

Synthesis and pharmacological characterization of new neuronal nicotinic acetylcholine receptor ligands derived from Sazetidine-A.

Bioorg Med Chem Lett 24: 2954-6 (2014)

Georgetown University Medical Center

2D 3D TSV

24844139

Tryptophan hydroxylase 1 (Tph-1)-targeted bone anabolic agents for osteoporosis.

J Med Chem 57: 4692-709 (2014)

Nanjing University

2D 3D TSV

24842618

The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties.

Bioorg Med Chem 22: 3414-22 (2014)

AMRI

2D 3D TSV

24840014

Ingol-type diterpenes from Euphorbia antiquorum with mouse 11�-hydroxysteroid dehydrogenase type 1 inhibition activity.

J Nat Prod 77: 1452-8 (2014)

Lanzhou University

2D 3D TSV

24839540

In Vitro Membrane Permeation Studies and in Vivo Antinociception of Glycosylated Dmt

ACS Med Chem Lett 5: 352-357 (2014)

Vrije Universiteit Brussel

2D 3D TSV

24837158

Novel quinuclidinyl heteroarylcarbamate derivatives as muscarinic receptor antagonists.

Bioorg Med Chem 22: 3478-87 (2014)

Astellas Pharma Inc

2D 3D TSV

24837157

Novel estrogen receptor (ER) modulators containing various hydrophobic bent-core structures.

Bioorg Med Chem 22: 3508-14 (2014)

Tohoku Pharmaceutical University

2D 3D TSV

24837154

Novel benzimidazole derivatives as phosphodiesterase 10A (PDE10A) inhibitors with improved metabolic stability.

Bioorg Med Chem 22: 3515-26 (2014)

Yamanouchi Pharmaceutical Co., Ltd

2D 3D TSV

24836072

Synthesis of novel 2-mercaptobenzoxazole based 1,2,3-triazoles as inhibitors of proinflammatory cytokines and suppressors of COX-2 gene expression.

Eur J Med Chem 81: 204-17 (2014)

Jamia Hamdard (Hamdard University)

2D 3D TSV

24836068

Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations.

Eur J Med Chem 81: 158-75 (2014)

Ratka Resanovica1

2D 3D TSV

24836064

Tamiphosphor monoesters as effective anti-influenza agents.

Eur J Med Chem 81: 106-18 (2014)

National Taiwan University

2D 3D TSV

24835985

Discovery of 3-aryl-3-ethoxypropanoic acids as orally active GPR40 agonists.

Bioorg Med Chem Lett 24: 2949-53 (2014)

Daiichi Sankyo Co., Ltd

2D 3D TSV

24835984

Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.

Bioorg Med Chem Lett 24: 2885-91 (2014)

Amgen Inc

2D 3D TSV

24835983

Optimization of ketone-based P2Y(12) receptor antagonists as antithrombotic agents: pharmacodynamics and receptor kinetics considerations.

Bioorg Med Chem Lett 24: 2963-8 (2014)

AstraZeneca

2D 3D TSV

24835980

Discovery of TD-4306, a long-acting�2-agonist for the treatment of asthma and COPD.

Bioorg Med Chem Lett 24: 2871-6 (2014)

Theravance, Inc.

2D 3D TSV

24835788

Preparation, anticholinesterase activity and molecular docking of new lupane derivatives.

Bioorg Med Chem 22: 3341-50 (2014)

Universidad Nacional del Sur

2D 3D TSV

24835202

Discovery of a 4-aryloxy-1H-pyrrolo[3,2-c]pyridine and a 1-aryloxyisoquinoline series of TRPA1 antagonists.

Bioorg Med Chem Lett 24: 3199-203 (2014)

AstraZeneca

2D 3D TSV

24835200

Design and synthesis of quinolinopropellane derivatives with selectived opioid receptor agonism.

Bioorg Med Chem Lett 24: 2851-4 (2014)

University of Tsukuba

2D 3D TSV

24835199

Design and synthesis of phenylisoxazole derivatives as novel human acrosin inhibitors.

Bioorg Med Chem Lett 24: 2802-6 (2014)

Second Military Medical University

2D 3D TSV

24835197

�-Secretase (BACE1)-inhibiting C-methylrotenoids from Abronia nana suspension cultures.

Bioorg Med Chem Lett 24: 2945-8 (2014)

Kyungpook National University

2D 3D TSV

24831826

Small molecule inhibitors targeting activator protein 1 (AP-1).

J Med Chem 57: 6930-48 (2014)

University of Texas Medical Branch

2D 3D TSV

24831693

Functionally selective dopamine D2, D3 receptor partial agonists.

J Med Chem 57: 4861-75 (2014)

Friedrich-Alexander University

2D 3D TSV

116

24831536

From chemical tools to clinical medicines: nonimmunosuppressive cyclophilin inhibitors derived from the cyclosporin and sanglifehrin scaffolds.

J Med Chem 57: 7145-59 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24831513

Functionalization of �-Caryophyllene Generates Novel Polypharmacology in the Endocannabinoid System.

ACS Chem Biol 9: 1499-507 (2014)

University of Bern , B�hlstrasse 28, CH-3012 Bern, Switzerland.

2D 3D TSV

24831010

ORA1, a zebrafish olfactory receptor ancestral to all mammalian V1R genes, recognizes 4-hydroxyphenylacetic acid, a putative reproductive pheromone.

J Biol Chem 289: 19778-88 (2014)

German Institute of Human Nutrition Potsdam-Rehbruecke

2D 3D TSV

24828006

Bazedoxifene-scaffold-based mimetics of solomonsterols A and B as novel pregnane X receptor antagonists.

J Med Chem 57: 4819-33 (2014)

University of Ljubljana

2D 3D TSV

24827861

Synthesis of rigidified eIF4E/eIF4G inhibitor-1 (4EGI-1) mimetic and their in vitro characterization as inhibitors of protein-protein interaction.

J Med Chem 57: 5094-111 (2014)

Harvard Medical School

2D 3D TSV

24827597

Structure-activity relationships of privileged structures lead to the discovery of novel biased ligands at the dopamine D2 receptor.

J Med Chem 57: 4924-39 (2014)

Monash University

2D 3D TSV

24825301

Solving time-dependent CYP3A4 inhibition for a series of indole-phenylacetic acid dual antagonists of the PGD(2) receptors CRTH2 and DP.

Bioorg Med Chem Lett 24: 2877-80 (2014)

Amgen Inc

2D 3D TSV

24824984

Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.

ACS Chem Biol 9: 1536-44 (2014)

The Broad Institute , Cambridge, Massachusetts 02142, United States

2D 3D TSV

24824658

Structure-activity relationship studies of N-methylated and N-hydroxylated spider polyamine toxins as inhibitors of ionotropic glutamate receptors.

J Med Chem 57: 4940-9 (2014)

University of Copenhagen

2D 3D TSV

24824064

Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I).

Eur J Med Chem 81: 89-94 (2014)

China Pharmaceutical University

2D 3D TSV

24821398

Synthesis and structure-activity relationship studies of conformationally flexible tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues ass2 receptor ligands.

J Med Chem 57: 4239-51 (2014)

Washington University

2D 3D TSV

24821376

Farnesyltransferase inhibitors: CAAX mimetics based on different biaryl scaffolds.

Bioorg Med Chem Lett 24: 2924-7 (2014)

Universit£ di Milano

2D 3D TSV

24821375

The dipeptide H-Trp-Glu-OH (WE) shows agonistic activity to peroxisome proliferator-activated protein-a and reduces hepatic lipid accumulation in lipid-loaded H4IIE cells.

Bioorg Med Chem Lett 24: 2957-62 (2014)

Korea University

2D 3D TSV

24819955

Identification of a neuroprotective and selective butyrylcholinesterase inhibitor derived from the natural alkaloid evodiamine.

Eur J Med Chem 81: 15-21 (2014)

University of W£rzburg

2D 3D TSV

24819954

Structure-activity relationships and molecular modelling of new 5-arylidene-4-thiazolidinone derivatives as aldose reductase inhibitors and potential anti-inflammatory agents.

Eur J Med Chem 81: 1-14 (2014)

University of Messina

2D 3D TSV

24819116

Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain expo

J Med Chem 57: 4720-44 (2014)

Pfizer Inc

2D 3D TSV

Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition.

24818857

J Med Chem 57: 4710-9 (2014)

Institute of Genetics and Molecular and Cellular Biology (IGBMC)

2D 3D TSV

24816066

Synthesis, biological evaluation and molecular docking studies of trans-indole-3-acrylamide derivatives, a new class of tubulin polymerization inhibitors.

Bioorg Med Chem 22: 3096-104 (2014)

Gazi University

2D 3D TSV

24815510

Synthesis of 2'-O,4'-C-alkylene-bridged ribonucleosides and their evaluation as inhibitors of HCV NS5B polymerase.

Bioorg Med Chem Lett 24: 2699-702 (2014)

Idenix Pharmaceuticals

2D 3D TSV

24815509

Discovery of camphor-derived pyrazolones as 11�-hydroxysteroid dehydrogenase type 1 inhibitors.

Bioorg Med Chem Lett 24: 2707-11 (2014)

Hoffmann-La Roche Inc

2D 3D TSV

24815508

Synthesis of isoquinolinone-based tricycles as novel poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors.

Bioorg Med Chem Lett 24: 2669-73 (2014)

Chinese Academy of Sciences

2D 3D TSV

24815000

8-Substituted 2-alkynyl-N(9)-propargyladenines as A2A adenosine receptor antagonists.

Bioorg Med Chem 22: 3072-82 (2014)

Yamasa Corporation

2D 3D TSV

24814885

Development of a new class of proteasome inhibitors with an epoxyketone warhead: Rational hybridization of non-peptidic belactosin derivatives and peptide epoxyketones.

Bioorg Med Chem 22: 3091-5 (2014)

Hokkaido University

2D 3D TSV

24814197

Discovery of novel 2-((pyridin-3-yloxy)methyl)piperazines asa7 nicotinic acetylcholine receptor modulators for the treatment of inflammatory disorders.

J Med Chem 57: 3966-83 (2014)

Critical Therapeutics, Inc.

2D 3D TSV

24813882

Donepezil + propargylamine + 8-hydroxyquinoline hybrids as new multifunctional metal-chelators, ChE and MAO inhibitors for the potential treatment of Alzheimer's disease.

Eur J Med Chem 80: 543-61 (2014)

Okayama University

2D 3D TSV

24813742

Dual carbonic anhydrase/matrix metalloproteinase inhibitors incorporating bisphosphonic acid moieties targeting bone tumors.

Bioorg Med Chem Lett 24: 2617-20 (2014)

Universit£ degli Studi

2D 3D TSV

24813741

Multivalent design of long-acting�(2)-adrenoceptor agonists incorporating biarylamines.

Bioorg Med Chem Lett 24: 2625-30 (2014)

Theravance, Inc.

2D 3D TSV

110

24813737

Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.

Bioorg Med Chem Lett 24: 2635-9 (2014)

Array BioPharma Inc

2D 3D TSV

Discovery of 1-arylpyrrolidone derivatives as potent p53-MDM2 inhibitors based on molecule fusing strategy.

24813735

Bioorg Med Chem Lett 24: 2648-50 (2014)

Second Military Medical University

2D 3D TSV

24813734

Adenosine analogue inhibitors of S-adenosylhomocysteine hydrolase.

Bioorg Med Chem Lett 24: 2737-40 (2014)

Merck Research Laboratories

2D 3D TSV

24813730

Discovery of thienopyrimidine-based FLT3 inhibitors from the structural modification of known IKK� inhibitors.

Bioorg Med Chem Lett 24: 2655-60 (2014)

Yonsei University

2D 3D TSV

24811300

Biased and unbiased strategies to identify biologically active small molecules.

Bioorg Med Chem 22: 4474-89 (2014)

Institut de Chimie des Substances Naturelles

2D 3D TSV

24809953

Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against Mycobacterium tuberculosis.

J Med Chem 57: 4889-905 (2014)

AstraZeneca

2D 3D TSV

24809814

Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis.

J Med Chem 57: 5074-84 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24805946

Establishment of a structure-activity relationship of 1H-imidazo[4,5-c]quinoline-based kinase inhibitor NVP-BEZ235 as a lead for African sleeping sickness.

J Med Chem 57: 4834-48 (2014)

Northeastern University

2D 3D TSV

24805199

Influence of the length and positioning of the antiestrogenic side chain of endoxifen and 4-hydroxytamoxifen on gene activation and growth of estrogen receptor positive cancer cells.

J Med Chem 57: 4569-83 (2014)

Georgetown University

2D 3D TSV

24805037

Novel arylsulfonamide derivatives with 5-HT6/5-HT7 receptor antagonism targeting behavioral and psychological symptoms of dementia.

J Med Chem 57: 4543-57 (2014)

Adamed Ltd.

2D 3D TSV

380

24803362

Concise synthesis of C-1-cyano-iminosugars via a new Staudinger/aza Wittig/Strecker multicomponent reaction strategy.

Bioorg Med Chem Lett 24: 2777-80 (2014)

Technical University Graz

2D 3D TSV

24803299

Arylazopyrazole AAP1742 inhibits CDKs and induces apoptosis in multiple myeloma cells via Mcl-1 downregulation.

Chem Biol Drug Des 84: 402-8 (2014)

Institute of Experimental Botany ASCR and Palacky University

2D 3D TSV

24801997

Fluorine modulates species selectivity in the triazolopyrimidine class of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors.

J Med Chem 57: 5381-94 (2014)

University of Texas at Dallas

2D 3D TSV

24801610

Discovery of biarylaminoquinazolines as novel tubulin polymerization inhibitors.

J Med Chem 57: 4598-605 (2014)

Universit£ degli Studi di Padova

2D 3D TSV

24801499

Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.

J Med Chem 57: 5370-80 (2014)

University of Alabama at Birmingham

2D 3D TSV

24800942

Design, synthesis, and biological evaluation of O-2-modified indenoisoquinolines as dual topoisomerase I-tyrosyl-DNA phosphodiesterase I inhibitors.

J Med Chem 57: 4324-36 (2014)

Purdue University

2D 3D TSV

24800940

Identification of a new selective dopamine D4 receptor ligand.

Bioorg Med Chem 22: 3105-14 (2014)

Florida A&M University

2D 3D TSV

146

24799995

Development of novel Vitamin D Receptor-Coactivator Inhibitors.

ACS Med Chem Lett 5: 199-204 (2014)

University of Wisconsin-Milwaukee

2D 3D TSV

24799086

Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.

Hepatology 60: 1015-22 (2014)

Pfizer Inc

2D 3D TSV

24798337

Human UTY(KDM6C) is a male-specific N�-methyl lysyl demethylase.

J Biol Chem 289: 18302-13 (2014)

University of Oxford

2D 3D TSV

24798019

Acridone alkaloids from Glycosmis chlorosperma as DYRK1A inhibitors.

J Nat Prod 77: 1117-22 (2014)

Institut de Chimie des Substances Naturelles

2D 3D TSV

24797717

Synthesis and evaluation of novel marine bromopyrrole alkaloid-based derivatives as potential antidepressant agents.

Chem Biol Drug Des 84: 593-602 (2014)

University of KwaZulu-Natal

2D 3D TSV

24797455

Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.

Chembiochem 15: 1121-30 (2014)

Genentech Inc

2D 3D TSV

24794772

Exploration of the dihydropyrimidine scaffold for the development of new potential anti-inflammatory agents blocking prostaglandin E2 synthase-1 enzyme (mPGES-1).

Eur J Med Chem 80: 407-15 (2014)

University of Salerno

2D 3D TSV

24794747

Novel aromatic-polyamine conjugates as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase.

Bioorg Med Chem 22: 3213-9 (2014)

Henan University

2D 3D TSV

24794746

Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.

Bioorg Med Chem 22: 3187-203 (2014)

Aurigene Discovery Technologies Limited

2D 3D TSV

168

24794745

Synthesis, biological, and biophysical studies of DAG-indololactones designed as selective activators of RasGRP.

Bioorg Med Chem 22: 3123-40 (2014)

National Institute of Industrial Technology

2D 3D TSV

24794744

Optimization of diaryl amine derivatives as kinesin spindle protein inhibitors.

Bioorg Med Chem 22: 3171-9 (2014)

Kyoto University

2D 3D TSV

24794743

Design and discovery of flavonoid-based HIV-1 integrase inhibitors targeting both the active site and the interaction with LEDGF/p75.

Bioorg Med Chem 22: 3146-58 (2014)

South China Normal University

2D 3D TSV

24794112

Synthesis and SAR of substituted pyrazolo[1,5-a]quinazolines as dual mGlu(2)/mGlu(3) NAMs.

Bioorg Med Chem Lett 24: 2693-8 (2014)

Vanderbilt University Medical Center

2D 3D TSV

24794110

a-Methylated simplified resiniferatoxin (sRTX) thiourea analogues as potent and stereospecific TRPV1 antagonists.

Bioorg Med Chem Lett 24: 2685-8 (2014)

Seoul National University

2D 3D TSV

24794108

Synthesis of 5-methyl phenanthridium derivatives: a new class of human DOPA decarboxylase inhibitors.

Bioorg Med Chem Lett 24: 2712-6 (2014)

Hunan Agricultural University

2D 3D TSV

24794107

Benzo[d]isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E(2) synthase-1.

Bioorg Med Chem Lett 24: 2764-7 (2014)

Peking University

2D 3D TSV

24794105

a-Tetralone derivatives as inhibitors of monoamine oxidase.

Bioorg Med Chem Lett 24: 2758-63 (2014)

North-West University

2D 3D TSV

24794104

Serendipitous oxidation product of BIBN4096BS: a potent CGRP receptor antagonist.

Bioorg Med Chem Lett 24: 2744-8 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24794103

Identification of 2,3-disubstituted pyridines as potent, non-emetic PDE4 inhibitors.

Bioorg Med Chem Lett 24: 2689-92 (2014)

Dainippon Sumitomo Pharma Co., Ltd.

2D 3D TSV

24793885

Structure-activity relationships studies of quinoxalinone derivatives as aldose reductase inhibitors.

Eur J Med Chem 80: 383-92 (2014)

Beijing Institute of Technology

2D 3D TSV

24793884

Synthesis and structure-activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors.

Eur J Med Chem 80: 364-82 (2014)

Amgen Inc

2D 3D TSV

151

24793878

New 2H-chromene-3-carboxamide derivatives: design, synthesis and use as inhibitors of hMAO.

Eur J Med Chem 80: 278-84 (2014)

Anhui Medical University

2D 3D TSV

24793360

Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors.

J Med Chem 57: 4640-60 (2014)

University of Lille

2D 3D TSV

24792813

Sulfonamide inhibition studies of two�-carbonic anhydrases from the bacterial pathogen Legionella pneumophila.

Bioorg Med Chem 22: 2939-46 (2014)

Kochi Medical School

2D 3D TSV

24792812

Anti-inflammatory drimane sesquiterpene lactones from an Aspergillus species.

Bioorg Med Chem 22: 2912-8 (2014)

Institute of Biotechnology and Drug Research (IBWF)

2D 3D TSV

24792811

Synthesis, biological evaluation, and molecular docking studies of novel 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety as FAK inhibitors with anticancer activity.

Bioorg Med Chem 22: 2947-54 (2014)

Nanjing University

2D 3D TSV

24792774

Discovery of novel type II c-Met inhibitors based on BMS-777607.

Eur J Med Chem 80: 254-66 (2014)

Fudan University

2D 3D TSV

24786728

Griseorhodins D-F, neuroactive intermediates and end products of post-PKS tailoring modification in Griseorhodin biosynthesis.

J. Nat. Prod. 77: 1224-30 (2014)

University of Utah

2D 3D TSV

24786585

Discovery of N-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline (EW-7197): a highly potent, selective, and orally bioavailable inhibitor of TGF-� type I receptor kinase as cancer immunotherapeutic/antifibrotic agent.

J Med Chem 57: 4213-38 (2014)

Ewha Womans University

2D 3D TSV

200

24786387

Synthesis and biological evaluation of a unique heparin mimetic hexasaccharide for structure-activity relationship studies.

J Med Chem 57: 4511-20 (2014)

Momenta Pharmaceuticals Inc.

2D 3D TSV

24785705

Discovery of novel and selective SIRT6 inhibitors.

J Med Chem 57: 4796-804 (2014)

University of Bologna

2D 3D TSV

24785465

Discovery of novel 2,4-diarylaminopyrimidine analogues (DAAPalogues) showing potent inhibitory activities against both wild-type and mutant ALK kinases.

J Med Chem 58: 197-211 (2015)

Chinese Academy of Sciences

2D 3D TSV

24785301

Efficacious inhaled PDE4 inhibitors with low emetic potential and long duration of action for the treatment of COPD.

J Med Chem 57: 4661-76 (2014)

AstraZeneca

2D 3D TSV

24783948

Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human a-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.

ACS Chem Biol 9: 1460-9 (2014)

Tottori University , Yonago 683-8503, Japan

2D 3D TSV

24782313

In vitro resistance selections for Plasmodium falciparum dihydroorotate dehydrogenase inhibitors give mutants with multiple point mutations in the drug-binding site and altered growth.

J Biol Chem 289: 17980-95 (2014)

Harvard School of Public Health

2D 3D TSV

24780600

Dual inhibition of thea-glucosidase and butyrylcholinesterase studied by molecular field topology analysis.

Eur J Med Chem 80: 228-42 (2014)

University of Florida

2D 3D TSV

24780598

Synthesis and biological evaluation of some new pyrazoline substituted benzenesulfonylurea/thiourea derivatives as anti-hyperglycaemic agents and aldose reductase inhibitors.

Eur J Med Chem 80: 209-17 (2014)

Jamia Hamdard (Hamdard University)

2D 3D TSV

24780593

Design and synthesis of novel 2-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazoles as selective COX-2 inhibitors with potent anti-inflammatory activity.

Eur J Med Chem 80: 167-74 (2014)

Shoolini University

2D 3D TSV

24780592

Design, synthesis, and biological evaluation of novel FAK scaffold inhibitors targeting the FAK-VEGFR3 protein-protein interaction.

Eur J Med Chem 80: 154-66 (2014)

Roswell Park Cancer Institute

2D 3D TSV

24780121

Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.

Bioorg Med Chem Lett 24: 2477-80 (2014)

Genentech Inc

2D 3D TSV

24779610

Shuttle-cargo fusion molecules of transport peptides and the hD2/3 receptor antagonist fallypride: a feasible approach to preserve ligand-receptor binding?

J Med Chem 57: 4368-81 (2014)

McGill University

2D 3D TSV

24779514

Discovery of GS-9973, a selective and orally efficacious inhibitor of spleen tyrosine kinase.

J Med Chem 57: 3856-73 (2014)

Gilead Sciences Inc

2D 3D TSV

128

24775917

Identification of trisubstituted-pyrazol carboxamide analogs as novel and potent antagonists of farnesoid X receptor.

Bioorg Med Chem 22: 2919-38 (2014)

Beckman Research Institute

2D 3D TSV

24775307

Highly-selective 4-(1,2,3-triazole)-based P450c17a 17,20-lyase inhibitors.

Bioorg Med Chem Lett 24: 2444-7 (2014)

Viamet Pharmaceuticals Inc

2D 3D TSV

24775305

P3 SAR exploration of biphenyl carbamate based Legumain inhibitors.

Bioorg Med Chem Lett 24: 2521-4 (2014)

Queen's University Belfast

2D 3D TSV

24775304

Pim kinase inhibitory and antiproliferative activity of a novel series of meridianin C derivatives.

Bioorg Med Chem Lett 24: 2424-8 (2014)

Keimyung University

2D 3D TSV

24773565

Combination of triple bond and adamantane ring on the vitamin D side chain produced partial agonists for vitamin D receptor.

J Med Chem 57: 4073-87 (2014)

Rikkyo University

2D 3D TSV

24773549

Discovery of 4-aryl-N-arylcarbonyl-2-aminothiazoles as Hec1/Nek2 inhibitors. Part I: optimization of in vitro potencies and pharmacokinetic properties.

J Med Chem 57: 4098-110 (2014)

Development Center for Biotechnology

2D 3D TSV

24773054

Design and synthesis of human ABCB1 (P-glycoprotein) inhibitors by peptide coupling of diverse chemical scaffolds on carboxyl and amino termini of (S)-valine-derived thiazole amino acid.

J Med Chem 57: 4058-72 (2014)

St. John's University

2D 3D TSV

24769348

New indolylarylsulfones as highly potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors.

Eur J Med Chem 80: 101-11 (2014)

Sapienza University of Rome

2D 3D TSV

24767852

Bis-aryloxadiazoles as effective activators of the aryl hydrocarbon receptor.

Bioorg Med Chem Lett 24: 2473-6 (2014)

University of Utah

2D 3D TSV

24767850

Biological evaluation of tanshindiols as EZH2 histone methyltransferase inhibitors.

Bioorg Med Chem Lett 24: 2486-92 (2014)

Korea Research Institute of Chemical Technology

2D 3D TSV

24767849

Design, synthesis and biological evaluation of Pontin ATPase inhibitors through a molecular docking approach.

Bioorg Med Chem Lett 24: 2512-6 (2014)

University of Bordeaux

2D 3D TSV

24767848

Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor.

Bioorg Med Chem Lett 24: 2508-11 (2014)

University of Siena

2D 3D TSV

24767846

Design and synthesis of highly potent HIV-1 protease inhibitors with novel isosorbide-derived P2 ligands.

Bioorg Med Chem Lett 24: 2465-8 (2014)

Shandong University

2D 3D TSV

24767843

2-Amino-1,3,4-thiadiazoles in the 7-hydroxy-N-neopentyl spiropiperidine indolinyl series as potent P2Y1 receptor antagonists.

Bioorg Med Chem Lett 24: 2481-5 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24767842

Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.

Bioorg Med Chem Lett 24: 2448-52 (2014)

Genentech Inc

2D 3D TSV

24767840

Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.

Bioorg Med Chem Lett 24: 2493-6 (2014)

University of Zurich

2D 3D TSV

24767818

Design, synthesis and biological evaluation of novel tripeptidyl epoxyketone derivatives constructed from�-amino acid as proteasome inhibitors.

Bioorg Med Chem 22: 2955-65 (2014)

Zhejiang University

2D 3D TSV

24766560

Azaindolylsulfonamides, with a more selective inhibitory effect on histone deacetylase 6 activity, exhibit antitumor activity in colorectal cancer HCT116 cells.

J Med Chem 57: 4009-22 (2014)

Taipei Medical University

2D 3D TSV

24763362

Synthesis, biological evaluation, molecular docking and theoretical evaluation of ADMET properties of nepodin and chrysophanol derivatives as potential cyclooxygenase (COX-1, COX-2) inhibitors.

Eur J Med Chem 80: 47-56 (2014)

National Institute of Pharmaceutical Education and Research

2D 3D TSV

24763360

Towards the development of 5-HT7 ligands combining serotonin-like and arylpiperazine moieties.

Eur J Med Chem 80: 8-35 (2014)

Universit£ degli Studi di Urbino

2D 3D TSV

24763264

Synthesis and biological evaluation of novel (123)I-labeled 4-(4-iodophenyl)butanoyl-L-prolyl-(2S)-pyrrolidines for imaging prolyl oligopeptidase in vivo.

Eur J Med Chem 79: 436-45 (2014)

University of Helsinki

2D 3D TSV

24763262

4-Oxo-1,4-dihydro-quinoline-3-carboxamides as BACE-1 inhibitors: synthesis, biological evaluation and docking studies.

Eur J Med Chem 79: 413-21 (2014)

Peking University Health Science Center

2D 3D TSV

24763261

Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.

Eur J Med Chem 79: 399-412 (2014)

China Pharmaceutical University

2D 3D TSV

24761755

Selectively promiscuous opioid ligands: discovery of high affinity/low efficacy opioid ligands with substantial nociceptin opioid peptide receptor affinity.

J Med Chem 57: 4049-57 (2014)

University of Bath

2D 3D TSV

24758871

Structure-activity relationships and colorimetric properties of specific probes for the putative cancer biomarker human arylamine N-acetyltransferase 1.

Bioorg Med Chem 22: 3030-54 (2014)

University of Oxford

2D 3D TSV

24758746

Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia.

J Med Chem 57: 4196-212 (2014)

Janssen Pharmaceutica NV

2D 3D TSV

24758147

Nitric oxide synthase inhibitors that interact with both heme propionate and tetrahydrobiopterin show high isoform selectivity.

J Med Chem 57: 4382-96 (2014)

Northwestern University

2D 3D TSV

24755525

Identifying structural determinants of potency for analogs of apelin-13: integration of C-terminal truncation with structure-activity.

Bioorg Med Chem 22: 2992-7 (2014)

RTI International

2D 3D TSV

24755524

Design, synthesis and preliminary evaluation ofa-sulfonyl�-(glycinyl-amino)proline peptidomimetics as matrix metalloproteinase inhibitors.

Bioorg Med Chem 22: 3055-64 (2014)

Shandong University

2D 3D TSV

24755431

The discovery of diazepinone-based 5-HT3 receptor partial agonists.

Bioorg Med Chem Lett 24: 2578-81 (2014)

AMRI

2D 3D TSV

24755427

The discovery of potent and selective non-steroidal glucocorticoid receptor modulators, suitable for inhalation.

Bioorg Med Chem Lett 24: 2571-7 (2014)

AstraZeneca

2D 3D TSV

Structure-based design and synthesis of bicyclic fused-pyridines as MEK inhibitors.

24755426

Bioorg Med Chem Lett 24: 2555-9 (2014)

Shanghai Hengrui Pharmaceutical Co., Ltd

2D 3D TSV

24755425

Synthesis and structure-activity relationship of dihydrobenzofuran derivatives as novel human GPR119 agonists.

Bioorg Med Chem Lett 24: 2539-45 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24755374

Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F.

Bioorg Chem 55: 2-15 (2014)

University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia

2D 3D TSV

24755226

Allosteric inhibitors of the Eya2 phosphatase are selective and inhibit Eya2-mediated cell migration.

J Biol Chem 289: 16349-61 (2014)

University of Colorado School of Medicine

2D 3D TSV

24754677

Identification of type II and III DDR2 inhibitors.

J Med Chem 57: 4252-62 (2014)

Technical University of Dortmund

2D 3D TSV

24754640

New 5-unsubstituted dihydropyridines with improved CaV1.3 selectivity as potential neuroprotective agents against ischemic injury.

J Med Chem 57: 4313-23 (2014)

Universidad Complutense

2D 3D TSV

24754609

Structural basis for isoform selectivity in a class of benzothiazole inhibitors of phosphoinositide 3-kinase�.

J Med Chem 58: 517-21 (2015)

Vertex Pharmaceuticals Inc

2D 3D TSV

24753254

Functional rescue of Kallmann syndrome-associated prokineticin receptor 2 (PKR2) mutants deficient in trafficking.

J Biol Chem 289: 15518-26 (2014)

Central South University

2D 3D TSV

24752625

Design and synthesis of paracaseolide A analogues as selective protein tyrosine phosphatase 1B inhibitors.

Org Biomol Chem 12: 3441-5 (2014)

Lanzhou University

2D 3D TSV

24751552

Synthesis, pharmacological screening and in silico studies of new class of Diclofenac analogues as a promising anti-inflammatory agents.

Bioorg Med Chem 22: 2855-66 (2014)

K.L.E.U's College of Pharmacy

2D 3D TSV

24751446

Cell permeable vanX inhibitors as vancomycin re-sensitizing agents.

Bioorg Med Chem Lett 24: 2535-8 (2014)

University of Minnesota

2D 3D TSV

24751445

Hot spot-based design of small-molecule inhibitors for protein-protein interactions.

Bioorg Med Chem Lett 24: 2546-54 (2014)

University of Utah

2D 3D TSV

24751443

Discovery of structurally novel, potent and orally efficacious GPR119 agonists.

Bioorg Med Chem Lett 24: 2383-7 (2014)

Genomics Institute of the Novartis Research Foundation

2D 3D TSV

24751441

Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization.

Bioorg Med Chem Lett 24: 2525-9 (2014)

Chinese Academy of Sciences

2D 3D TSV

24751440

Optimization of pancreatic lipase inhibition by Cudrania tricuspidata fruits using response surface methodology.

Bioorg Med Chem Lett 24: 2329-33 (2014)

Chungbuk National University

2D 3D TSV

24751157

Design, Synthesis and Biological Evaluation of Peptidyl Epoxyketone Proteasome Inhibitors Composed of ??????-amino Acids.

Chem Biol Drug Des 84: 497-504 (2014)

Zhejiang University

2D 3D TSV

24749893

3-Substituted-N-(4-hydroxynaphthalen-1-yl)arylsulfonamides as a novel class of selective Mcl-1 inhibitors: structure-based design, synthesis, SAR, and biological evaluation.

J Med Chem 57: 4111-33 (2014)

University of Michigan Medical School

2D 3D TSV

123

24749861

Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity.

J Med Chem 57: 4289-301 (2014)

H. Lee Moffitt Cancer Center and Research Institute

2D 3D TSV

24746465

Carbonic anhydrase inhibitors. Inhibition of human cytosolic isoforms I and II with (reduced) Schiff's bases incorporating sulfonamide, carboxylate and carboxymethyl moieties.

Bioorg Med Chem 22: 2867-74 (2014)

ENSCM/UMII/UMR-CNRS 5635

2D 3D TSV

24746464

Identification of the stereochemical requirements in the 4-aryl-2-cycloalkylidenhydrazinylthiazole scaffold for the design of selective human monoamine oxidase B inhibitors.

Bioorg Med Chem 22: 2887-95 (2014)

Sapienza University of Rome

2D 3D TSV

24745969

Identification of the first potent, selective and bioavailable PPARa antagonist.

Bioorg Med Chem Lett 24: 2267-72 (2014)

Inception Sciences

2D 3D TSV

24745967

Benzylpiperidine variations on histamine H3 receptor ligands for improved drug-likeness.

Bioorg Med Chem Lett 24: 2236-9 (2014)

Johann Wolfgang Goethe University

2D 3D TSV

24745965

Towards the discovery of drug-like epigallocatechin gallate analogs as Hsp90 inhibitors.

Bioorg Med Chem Lett 24: 2263-6 (2014)

Montclair State University

2D 3D TSV

24745964

Design, synthesis, docking and anti-inflammatory evaluation of novel series of benzofuran based prodrugs.

Bioorg Med Chem Lett 24: 2251-5 (2014)

Banaras Hindu University

2D 3D TSV

24742681

Oxysterol-binding protein (OSBP)-related protein 4 (ORP4) is essential for cell proliferation and survival.

J Biol Chem 289: 15705-17 (2014)

Dalhousie University

2D 3D TSV

24742680

Structural basis for the recognition of peptide RJPXD33 by acyltransferases in lipid A biosynthesis.

J Biol Chem 289: 15527-35 (2014)

University of Michigan

2D 3D TSV

24742384

Influence of the adamantyl moiety on the activity of biphenylacrylohydroxamic acid-based HDAC inhibitors.

Eur J Med Chem 79: 251-9 (2014)

Universit£ di Milano

2D 3D TSV

24742203

Second generation steroidal 4-aminoquinolines are potent, dual-target inhibitors of the botulinum neurotoxin serotype A metalloprotease and P. falciparum malaria.

J Med Chem 57: 4134-53 (2014)

University of Belgrade

2D 3D TSV

24742174

A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: active vitamin D analogues with 22R-alkyl group.

J Med Chem 57: 4351-67 (2014)

Showa Pharmaceutical University

2D 3D TSV

24742150

Synthesis and evaluation of phosphorus containing, specific CDK9/CycT1 inhibitors.

J Med Chem 57: 3939-65 (2014)

Vichem Chemie Ltd.

2D 3D TSV

Rational design of broad spectrum antibacterial activity based on a clinically relevant enoyl-acyl carrier protein (ACP) reductase inhibitor.

24739388

J Biol Chem 289: 15987-6005 (2014)

University of Wuerzburg

2D 3D TSV

24738581

Identification of (R)-6-(1-(4-cyano-3-methylphenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)-2-methoxynicotinic acid, a highly potent and selective nonsteroidal mineralocorticoid receptor antagonist.

J Med Chem 57: 4273-88 (2014)

Pfizer Inc

2D 3D TSV

24738476

New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease.

J Med Chem 57: 3773-85 (2014)

Instituto de Qu£mica M£dica

2D 3D TSV

24737316

Structural basis of pharmacological chaperoning for human �-galactosidase.

J Biol Chem 289: 14560-8 (2014)

The University of Tokyo

2D 3D TSV

24736117

Elucidation of different inhibition mechanism of small chemicals on PtdInsP-binding domains using in silico docking experiments.

Bioorg Med Chem Lett 24: 2256-62 (2014)

Sookmyung Women's University

2D 3D TSV

24735647

Synthesis and biological evaluation of a novel sigma-1 receptor antagonist based on 3,4-dihydro-2(1H)-quinolinone scaffold as a potential analgesic.

Eur J Med Chem 79: 216-30 (2014)

Huazhong University of Science and Technology

2D 3D TSV

24735646

Synthesis and evaluation of cyclohexane carboxylic acid head group containing isoxazole and thiazole analogs as DGAT1 inhibitors.

Eur J Med Chem 79: 203-15 (2014)

VIT University

2D 3D TSV

24735644

Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-� hydrolysis.

Eur J Med Chem 79: 184-93 (2014)

University of Lille

2D 3D TSV

24735492

Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence.

J Med Chem 57: 4154-72 (2014)

Sanford-Burnham Medical Research Institute

2D 3D TSV

24731541

The cannabinoid acids, analogs and endogenous counterparts.

Bioorg Med Chem 22: 2830-43 (2014)

The University of Massachusetts Medical School

2D 3D TSV

24731281

Synthesis and biological evaluation of compounds which contain pyrazole, thiazole and naphthalene ring as antitumor agents.

Bioorg Med Chem Lett 24: 2324-8 (2014)

Nanjing University

2D 3D TSV

24731278

Synthesis and in vitro evaluation of anti-inflammatory activity of ester and amine derivatives of indoline in RAW 264.7 and peritoneal macrophages.

Bioorg Med Chem Lett 24: 2283-7 (2014)

Bar-Ilan University

2D 3D TSV

24731277

Small chemicals with inhibitory effects on PtdIns(3,4,5)P3 binding of Btk PH domain.

Bioorg Med Chem Lett 24: 2334-9 (2014)

Konkuk University

2D 3D TSV

24731275

Design, syntheses, and characterization of piperazine based chemokine receptor CCR5 antagonists as anti prostate cancer agents.

Bioorg Med Chem Lett 24: 2319-23 (2014)

Virginia Commonwealth University

2D 3D TSV

24729834

Trisubstituted Sulfonamides: a New Chemotype for Development of Potent and Selective CB

ACS Med Chem Lett 4: 387-392 (2013)

University of Pittsburgh

2D 3D TSV

24727489

Pyrazole-5-carboxamides, novel inhibitors of receptor for advanced glycation end products (RAGE).

Eur J Med Chem 79: 128-42 (2014)

Woosuk University

2D 3D TSV

24726809

Design, synthesis and biological evaluation of benzylisoquinoline derivatives as multifunctional agents against Alzheimer's disease.

Bioorg Med Chem Lett 24: 2368-73 (2014)

China Pharmaceutical University

2D 3D TSV

24726807

Scaffold hopping approach to a new series of smoothened antagonists.

Bioorg Med Chem Lett 24: 2300-4 (2014)

Soochow University

2D 3D TSV

24726806

Syk inhibitors with high potency in presence of blood.

Bioorg Med Chem Lett 24: 2278-82 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

108

24726306

Geranyl and neryl triazole bisphosphonates as inhibitors of geranylgeranyl diphosphate synthase.

Bioorg Med Chem 22: 2791-8 (2014)

University of Iowa

2D 3D TSV

24726305

Preliminary investigations into triazole derived androgen receptor antagonists.

Bioorg Med Chem 22: 2692-706 (2014)

Deakin University

2D 3D TSV

24725435

Design, synthesis and pharmacological evaluation of novel polycyclic heteroarene ethers as PDE10A inhibitors: Part I.

Bioorg Med Chem Lett 24: 2073-8 (2014)

Glenmark Pharmaceuticals Ltd

2D 3D TSV

24721831

Radiosyntheses and in vivo evaluation of carbon-11 PET tracers for PDE10A in the brain of rodent and nonhuman primate.

Bioorg Med Chem 22: 2648-54 (2014)

Washington University

2D 3D TSV

24721830

Synthesis and in vitro evaluation of bis-quaternary 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide derivatives as reactivators against sarin and VX inhibited human acetylcholinesterase (hAChE).

Bioorg Med Chem 22: 2684-91 (2014)

Defence Research & Development Establishment (DRDE)

2D 3D TSV

24721313

Synthesis and evaluation of several oleanolic acid glycoconjugates as protein tyrosine phosphatase 1B inhibitors.

Eur J Med Chem 79: 34-46 (2014)

North-West University

2D 3D TSV

24720475

Synthesis, molecular docking, and biological evaluation of some novel hydrazones and pyrazole derivatives as anti-inflammatory agents.

Chem Biol Drug Des 84: 473-88 (2014)

Cairo University

2D 3D TSV

24719329

Inhibition of the ribonuclease H activity of HIV-1 reverse transcriptase by GSK5750 correlates with slow enzyme-inhibitor dissociation.

J Biol Chem 289: 16270-7 (2014)

McGill University

2D 3D TSV

24717153

Design of novel multiple-acting ligands towards SERT and 5-HT2C receptors.

Bioorg Med Chem Lett 24: 2118-22 (2014)

Gedeon Richter Plc

2D 3D TSV

24713308

Pyrazolo[4,3-e][1,2,4]triazine sulfonamides as carbonic anhydrase inhibitors with antitumor activity.

Bioorg Med Chem 22: 2643-7 (2014)

Siedlce University of Natural Sciences and Humanities

2D 3D TSV

24712915

Discovery of novel inhibitors targeting the macrophage migration inhibitory factor via structure-based virtual screening and bioassays.

J Med Chem 57: 3737-45 (2014)

Zhejiang University

2D 3D TSV

24712832

4-Alkyloxyimino derivatives of uridine-5'-triphosphate: distal modification of potent agonists as a strategy for molecular probes of P2Y2, P2Y4, and P2Y6 receptors.

J Med Chem 57: 3874-83 (2014)

National Institute of Diabetes and Digestive and Kidney Diseases

2D 3D TSV

24712764

Thienoquinolines as novel disruptors of the PKCe/RACK2 protein-protein interaction.

J Med Chem 57: 3235-46 (2014)

Innsbruck Medical University

2D 3D TSV

24712661

Discovery of 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor� agonist in clinical trials for the treatment of dyslipidemia.

J Med Chem 57: 3912-23 (2014)

Madrigal Pharmaceuticals Inc

2D 3D TSV

24709560

Discovery of two aminoglycoside antibiotics as inhibitors targeting the menin-mixed lineage leukaemia interface.

Bioorg Med Chem Lett 24: 2090-3 (2014)

Fuzhou University

2D 3D TSV

24708493

Triaryl-substituted Schiff bases are high-affinity subtype-selective ligands for the estrogen receptor.

J Med Chem 57: 3532-45 (2014)

Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

2D 3D TSV

24707965

A Selective Phenelzine Analogue Inhibitor of Histone Demethylase LSD1.

ACS Chem Biol 9: 1284-93 (2014)

Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States

2D 3D TSV

24707857

Nucleotide-binding oligomerization domain (NOD) inhibitors: a rational approach toward inhibition of NOD signaling pathway.

J Med Chem 57: 6897-918 (2014)

University of Ljubljana

2D 3D TSV

24707807

Plasmodium falciparum UvrD activities are downregulated by DNA-interacting compounds and its dsRNA inhibits malaria parasite growth.

BMC Biochem 15: 9 (2014)

International Centre for Genetic Engineering and Biotechnology

2D 3D TSV

24707347

Truncated Orexin Peptides: Structure-Activity Relationship Studies.

ACS Med Chem Lett 4: 1224-1227 (2013)

Research Triangle Institute

2D 3D TSV

24704618

Design, synthesis and biological evaluation of novel tetrahydroacridine pyridine- aldoxime and -amidoxime hybrids as efficient uncharged reactivators of nerve agent-inhibited human acetylcholinesterase.

Eur J Med Chem 78: 455-67 (2014)

University of Strasburg

2D 3D TSV

24704616

Discovery of 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide derivatives as new ROR� inhibitors using virtual screening, synthesis and biological evaluation.

Eur J Med Chem 78: 431-41 (2014)

Chinese Academy of Sciences

2D 3D TSV

24704612

Design, synthesis, acetylcholinesterase inhibition and larvicidal activity of girgensohnine analogs on Aedes aegypti, vector of dengue fever.

Eur J Med Chem 78: 392-400 (2014)

Universidad Industrial de Santander

2D 3D TSV

24704197

4-([1,2,4]Triazolo[1,5-a]pyridin-6-yl)-5(3)-(6-methylpyridin-2-yl)imidazole and -pyrazole derivatives as potent and selective inhibitors of transforming growth factor-� type I receptor kinase.

Bioorg Med Chem 22: 2724-32 (2014)

Ewha Womans University

2D 3D TSV

24704031

The evolution of amidine-based brain penetrant BACE1 inhibitors.

Bioorg Med Chem Lett 24: 2033-45 (2014)

Janssen Pharmaceutica NV

2D 3D TSV

24704030

Discovery of dual orexin receptor antagonists with rat sleep efficacy enabled by expansion of the acetonitrile-assisted/diphosgene-mediated 2,4-dichloropyrimidine synthesis.

Bioorg Med Chem Lett 24: 2079-85 (2014)

Merck Research Laboratories

2D 3D TSV

24704029

Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction.

Bioorg Med Chem Lett 24: 2110-4 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24704027

Lactam and oxazolidinone derived potent 5-hydroxytryptamine 6 receptor antagonists.

Bioorg Med Chem Lett 24: 2094-7 (2014)

Cephalon Inc

2D 3D TSV

24703463

Inhibitory effects of novel synthetic methimazole derivatives on mushroom tyrosinase and melanogenesis.

Bioorg Med Chem 22: 2809-15 (2014)

Hungkuang University

2D 3D TSV

24703233

From virtual to clinical: The discovery of PGN-1531, a novel antagonist of the prostanoid EP4 receptor.

Bioorg Med Chem Lett 24: 2212-21 (2014)

Argenta Discovery Ltd

2D 3D TSV

24702858

RE12 derivatives displaying Vaccinia H1-related phosphatase (VHR) inhibition in the presence of detergent and their anti-proliferative activity against HeLa cells.

Bioorg Med Chem 22: 2771-82 (2014)

Japan Science and Technology Agency

2D 3D TSV

24702857

Search for novel histone deacetylase inhibitors. Part II: design and synthesis of novel isoferulic acid derivatives.

Bioorg Med Chem 22: 2707-13 (2014)

Xi'an Jiaotong University

2D 3D TSV

24702856

Structure-activity relationship-guided development of retinoic acid receptor-related orphan receptor gamma (ROR�)-selective inverse agonists with a phenanthridin-6(5H)-one skeleton from a liver X receptor ligand.

Bioorg Med Chem 22: 2799-808 (2014)

The University of Tokyo

2D 3D TSV

24702184

Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.

J Med Chem 57: 3588-93 (2014)

Chinese Academy of Sciences (CAS)

2D 3D TSV

24697360

Biased ligand modulation of seven transmembrane receptors (7TMRs): functional implications for drug discovery.

J Med Chem 57: 6887-96 (2014)

Merck Research Laboratories

2D 3D TSV

24697311

Novel derivatives of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) with improved fluorescent ands receptors binding properties.

J Med Chem 57: 3314-23 (2014)

Universit£ degli Studi di Bari Aldo Moro

2D 3D TSV

24697290

Discovery of a neuroprotective chemical, (S)-N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with improved druglike properties.

J Med Chem 57: 3746-54 (2014)

University of Texas Southwestern Medical Center

2D 3D TSV

24697269

Development of pyrazolone and isoxazol-5-one cambinol analogues as sirtuin inhibitors.

J Med Chem 57: 3283-94 (2014)

Fred Hutchinson Cancer Research Center

2D 3D TSV

24697244

Indirubin core structure of glycogen synthase kinase-3 inhibitors as novel chemotype for intervention with 5-lipoxygenase.

J Med Chem 57: 3715-23 (2014)

Friedrich-Schiller-University

2D 3D TSV

24695735

The Parkinson disease-linked LRRK2 protein mutation I2020T stabilizes an active state conformation leading to increased kinase activity.

J Biol Chem 289: 13042-53 (2014)

Harvard NeuroDiscovery Center

2D 3D TSV

24694215

Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.

J Med Chem 57: 3845-55 (2014)

Pfizer Inc

2D 3D TSV

24694071

New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile.

J Med Chem 57: 4487-97 (2014)

MicuRx Pharmaceuticals Inc.

2D 3D TSV

24694055

Discovery of the first N-hydroxycinnamamide-based histone deacetylase 1/3 dual inhibitors with potent oral antitumor activity.

J Med Chem 57: 3324-41 (2014)

Shandong University

2D 3D TSV

24692551

Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor �/d (FABP5-PPAR�/d) signaling pathway.

J Biol Chem 289: 14941-54 (2014)

Emory University

2D 3D TSV

24691057

SAR-studies on the importance of aromatic ring topologies in search for selective 5-HT(7) receptor ligands among phenylpiperazine hydantoin derivatives.

Eur J Med Chem 78: 324-39 (2014)

Jagiellonian University Medical College

2D 3D TSV

24690529

a-Ketoheterocycle inhibitors of fatty acid amide hydrolase: exploration of conformational constraints in the acyl side chain.

Bioorg Med Chem 22: 2763-70 (2014)

The Scripps Research Institute

2D 3D TSV

24690494

Antagonists of the kappa opioid receptor.

Bioorg Med Chem Lett 24: 2021-32 (2014)

The Scripps Research Institute

2D 3D TSV

24689821

Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.

J Med Chem 57: 3494-510 (2014)

Universidad de Santiago de Compostela

2D 3D TSV

24689792

Cyclic secondary sulfonamides: unusually good inhibitors of cancer-related carbonic anhydrase enzymes.

J Med Chem 57: 3522-31 (2014)

Griffith University

2D 3D TSV

24689770

Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1).

J Med Chem 57: 3570-87 (2014)

MRC Technology

2D 3D TSV

24686016

Discovery of mixed type thymidine phosphorylase inhibitors endowed with antiangiogenic properties: synthesis, pharmacological evaluation and molecular docking study of 2-thioxo-pyrazolo[1,5-a][1,3,5]triazin-4-ones. Part II.

Eur J Med Chem 78: 294-303 (2014)

National University of Singapore

2D 3D TSV

24685544

Identification of tertiary sulfonamides as RORc inverse agonists.

Bioorg Med Chem Lett 24: 2182-7 (2014)

Genentech

2D 3D TSV

24685543

Discovery of substituted benzamides as follicle stimulating hormone receptor allosteric modulators.

Bioorg Med Chem Lett 24: 2168-72 (2014)

EMD-Serono Research Institute, Inc

2D 3D TSV

24685542

Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases.

Bioorg Med Chem Lett 24: 2206-11 (2014)

Bristol-Myers Squibb Research and Development

2D 3D TSV

24685540

Symmetric adamantyl-diureas as soluble epoxide hydrolase inhibitors.

Bioorg Med Chem Lett 24: 2193-7 (2014)

Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

2D 3D TSV

24685539

The discovery and SAR of cyclopenta[b]furans as inhibitors of CCR2.

Bioorg Med Chem Lett 24: 2137-40 (2014)

Janssen Research and Development LLC

2D 3D TSV

24685113

Development of 3,5-dinitrobenzoate-based 5-lipoxygenase inhibitors.

Bioorg Med Chem 22: 2396-402 (2014)

Peking University

2D 3D TSV

24685112

Anthranilic acid derivatives as novel ligands for farnesoid X receptor (FXR).

Bioorg Med Chem 22: 2447-60 (2014)

Goethe-University Frankfurt

2D 3D TSV

24684845

Synthesis and biological evaluation of novel bis-aromatic amides as novel PTP1B inhibitors.

Bioorg Med Chem Lett 24: 1889-94 (2014)

Jiangnan University

2D 3D TSV

24684843

In vivo optimization of 2,3-diaminopyrazine Rho Kinase inhibitors for the treatment of glaucoma.

Bioorg Med Chem Lett 24: 1875-9 (2014)

Alcon Laboratories Inc

2D 3D TSV

24684293

Diacylglycerol lactones targeting the structural features that distinguish the atypical C1 domains of protein kinase C� and� from typical C1 domains.

J Med Chem 57: 3835-44 (2014)

National Cancer Institute-Bethesda

2D 3D TSV

24684270

Basic quinolinonyl diketo acid derivatives as inhibitors of HIV integrase and their activity against RNase H function of reverse transcriptase.

J Med Chem 57: 3223-34 (2014)

Sapienza University of Rome

2D 3D TSV

24684213

Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies.

J Med Chem 57: 4035-48 (2014)

Harvard Medical School

2D 3D TSV

24681986

Synthesis and kinase inhibitory activity of new sulfonamide derivatives of pyrazolo[4,3-e][1,2,4]triazines.

Eur J Med Chem 78: 217-24 (2014)

Siedlce University of Natural Sciences and Humanities

2D 3D TSV

24681981

Synthesis, crystal structure and biological evaluation of some novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines.

Eur J Med Chem 78: 167-77 (2014)

Quaid-i-Azam University

2D 3D TSV

24681980

Fluorinated benzophenone derivatives: balanced multipotent agents for Alzheimer's disease.

Eur J Med Chem 78: 157-66 (2014)

University of Bologna

2D 3D TSV

24681391

New aminobenzenesulfonamide-thiourea conjugates: synthesis and carbonic anhydrase inhibition and docking studies.

Eur J Med Chem 78: 140-50 (2014)

COMSATS Institute of Information Technology

2D 3D TSV

24681070

Novel structural hybrids of pyrazolobenzothiazines with benzimidazoles as cholinesterase inhibitors.

Eur J Med Chem 78: 106-17 (2014)

Government College Women University

2D 3D TSV

24681066

Design, synthesis and bioevaluation of N-trisubstituted pyrimidine derivatives as potent aurora A kinase inhibitors.

Eur J Med Chem 78: 65-71 (2014)

Sun Yat-sen University

2D 3D TSV

24680060

Effect of prime-site sequence of retro-inverso-modified HTLV-1 protease inhibitor.

Bioorg Med Chem 22: 2482-8 (2014)

Kyoto Prefectural University of Medicine

2D 3D TSV

24680058

Structural modifications of CH(OH)-DAPYs as new HIV-1 non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem 22: 2535-41 (2014)

Fudan University

2D 3D TSV

24679441

Anti-inflammatory components of Euphorbia humifusa Willd.

Bioorg Med Chem Lett 24: 1895-900 (2014)

Chungnam National University

2D 3D TSV

24678969

Discovery of a novel series of orally active nociceptin/orphanin FQ (NOP) receptor antagonists based on a dihydrospiro(piperidine-4,7'-thieno[2,3-c]pyran) scaffold.

J Med Chem 57: 3418-29 (2014)

Eli Lilly and Company

2D 3D TSV

24678947

Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor.

J Med Chem 57: 3358-68 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24677340

Development of Selective Inhibitors for Human Aldehyde Dehydrogenase 3A1 (ALDH3A1) for the Enhancement of Cyclophosphamide Cytotoxicity.

Chembiochem 15: 701-712 (2014)

Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA)

2D 3D TSV

24675381

Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.

Bioorg Med Chem Lett 24: 1923-7 (2014)

Array BioPharma, Inc.

2D 3D TSV

24675380

Identification of novel SIRT2-selective inhibitors using a click chemistry approach.

Bioorg Med Chem Lett 24: 1871-4 (2014)

Nagoya City University

2D 3D TSV

24675378

Design, synthesis and biological evaluation of novel aminomethyl-piperidones based DPP-IV inhibitors.

Bioorg Med Chem Lett 24: 1918-22 (2014)

M.S. University of Baroda

2D 3D TSV

24675179

Synthesis, cytotoxicity and molecular modelling studies of new phenylcinnamide derivatives as potent inhibitors of cholinesterases.

Eur J Med Chem 78: 43-53 (2014)

Quaid-i-Azam University

2D 3D TSV

24675176

Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT(7) and 5-HT(1A) receptor ligands.

Eur J Med Chem 78: 10-22 (2014)

Jagiellonian University Medical College

2D 3D TSV

24675175

Synthesis of substituted pyrimidines as corticotropin releasing factor (CRF) receptor ligands.

Eur J Med Chem 78: 1-9 (2014)

South Dakota State University

2D 3D TSV

24675136

Structure-activity relationship study of 4EGI-1, small molecule eIF4E/eIF4G protein-protein interaction inhibitors.

Eur J Med Chem 77: 361-77 (2014)

Harvard Medical School

2D 3D TSV

24675135

Design, synthesis and evaluation of novel diaryl urea derivatives as potential antitumor agents.

Eur J Med Chem 77: 351-60 (2014)

Peking Union Medical College & Chinese Academy of Medical Sciences

2D 3D TSV

24674599

Identification of dipeptidyl peptidase IV inhibitors: virtual screening, synthesis and biological evaluation.

Chem Biol Drug Des 84: 364-77 (2014)

China Pharmaceutical University

2D 3D TSV

24673130

Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization.

J Med Chem 57: 3484-93 (2014)

Genentech Inc

2D 3D TSV

24673104

Identification of novel HSP90a/� isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease.

J Med Chem 57: 3382-400 (2014)

Vertex Pharmaceuticals Inc

2D 3D TSV

185

24670009

Discovery of 6-phenylpyrimido[4,5-b][1,4]oxazines as potent and selective acyl CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitors with in vivo efficacy in rodents.

J Med Chem 57: 3464-83 (2014)

Amgen Inc

2D 3D TSV

24669958

Agonists for the adenosine A1 receptor with tunable residence time. A Case for nonribose 4-amino-6-aryl-5-cyano-2-thiopyrimidines.

J Med Chem 57: 3213-22 (2014)

Leiden University

2D 3D TSV

24668804

Biochemical, cellular, and biophysical characterization of a potent inhibitor of mutant isocitrate dehydrogenase IDH1.

J Biol Chem 289: 13717-25 (2014)

National Institutes of Health

2D 3D TSV

24666646

Thiophene carboxamide inhibitors of JAK2 as potential treatments for myleoproliferative neoplasms.

Bioorg Med Chem Lett 24: 1968-73 (2014)

Merck & Co.

2D 3D TSV

24666203

Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy.

J Med Chem 57: 3263-82 (2014)

Genomics Institute of the Novartis Research Foundation

2D 3D TSV

124

24666186

Allosteric inhibition of human factor XIa: discovery of monosulfated benzofurans as a class of promising inhibitors.

J Med Chem 57: 3559-69 (2014)

Virginia Commonwealth University

2D 3D TSV

24666157

Discovery, optimization, and characterization of novel D2 dopamine receptor selective antagonists.

J Med Chem 57: 3450-63 (2014)

National Center for Advancing Translational Sciences

2D 3D TSV

24661847

Synthesis of thio-heterocyclic analogues from Baylis-Hillman bromides as potent cyclooxygenase-2 inhibitors.

Bioorg Med Chem Lett 24: 1952-7 (2014)

CSIR-Indian Institute of Chemical Technology

2D 3D TSV

24660890

Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.

J Med Chem 57: 3205-12 (2014)

Merck & Co. Inc

2D 3D TSV

24660812

Improved total synthesis and biological evaluation of potent apratoxin S4 based anticancer agents with differential stability and further enhanced activity.

J Med Chem 57: 3011-29 (2014)

University of Florida

2D 3D TSV

24660051

An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.

ACS Med Chem Lett 5: 56-60 (2014)

Northwestern University

2D 3D TSV

24657567

Antimitotic and vascular disrupting agents: 2-hydroxy-3,4,5-trimethoxybenzophenones.

Eur J Med Chem 77: 306-14 (2014)

Taipei Medical University

2D 3D TSV

24657054

Designing bifunctional NOP receptor-mu opioid receptor ligands from NOP-receptor selective scaffolds. Part II.

Bioorg Med Chem 22: 2508-16 (2014)

Astraea Therapeutics, LLC.

2D 3D TSV

24657053

Docking and SAR studies of calystegines: binding orientation and influence on pharmacological chaperone effects for Gaucher's disease.

Bioorg Med Chem 22: 2435-41 (2014)

University of Toyama

2D 3D TSV

24657052

Quinolone-benzylpiperidine derivatives as novel acetylcholinesterase inhibitor and antioxidant hybrids for Alzheimer disease.

Bioorg Med Chem 22: 2496-507 (2014)

Universit£ de Franche Comt£

2D 3D TSV

24657049

Polyfluorinated bis-styrylbenzenes as amyloid-� plaque binding ligands.

Bioorg Med Chem 22: 2469-81 (2014)

Leiden University

2D 3D TSV

24656804

1,2-benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors.

Bioorg Med Chem 22: 2416-26 (2014)

Tianjin University of Science and Technology

2D 3D TSV

24656800

Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.

Bioorg Med Chem 22: 2427-34 (2014)

Astellas Pharma Inc

2D 3D TSV

24656662

Synthesis, biological evaluation, and docking analysis of a novel family of 1-methyl-1H-pyrrole-2,5-diones as highly potent and selective cyclooxygenase-2 (COX-2) inhibitors.

Bioorg Med Chem Lett 24: 1958-62 (2014)

Kyung Hee University

2D 3D TSV

24656661

Core modification of substituted piperidines as novel inhibitors of HDM2-p53 protein-protein interaction.

Bioorg Med Chem Lett 24: 1983-6 (2014)

Merck Research Laboratories

2D 3D TSV

24656565

Discovery of a potent and dissociated non-steroidal glucocorticoid receptor agonist containing an alkyl carbinol pharmacophore.

Bioorg Med Chem Lett 24: 1934-40 (2014)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

24654918

Pharmacophoric modifications lead to superpotentav�3 integrin ligands with suppresseda5�1 activity.

J Med Chem 57: 3410-7 (2014)

Technische Universit£t M£nchen

2D 3D TSV

24654886

New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors.

J Med Chem 57: 3247-62 (2014)

Universit£ degli Studi di Perugia

2D 3D TSV

24650714

Non-imidazole histamine H3 receptor ligands incorporating antiepileptic moieties.

Eur J Med Chem 77: 269-79 (2014)

United Arab Emirates University

2D 3D TSV

24650704

Using 'biased-privileged' scaffolds to identify lysine methyltransferase inhibitors.

Bioorg Med Chem 22: 2253-60 (2014)

Rockefeller University

2D 3D TSV

24650702

Structure-activity relationship of celecoxib and rofecoxib for the membrane permeabilizing activity.

Bioorg Med Chem 22: 2529-34 (2014)

Keio University

2D 3D TSV

24650641

Arylamino bisphosphonates: potent and selective inhibitors of the tumor-associated carbonic anhydrase XII.

Bioorg Med Chem Lett 24: 1941-3 (2014)

Universit£ degli Studi 'Aldo Moro' di Bari

2D 3D TSV

110

24650640

Discovery of 4-anilinoa-carbolines as novel Brk inhibitors.

Bioorg Med Chem Lett 24: 1948-51 (2014)

Martin-Luther-University Halle-Wittenberg

2D 3D TSV

24649848

Discovery of a potent and selectivea3�4 nicotinic acetylcholine receptor antagonist from ana-conotoxin synthetic combinatorial library.

J Med Chem 57: 3511-21 (2014)

Torrey Pines Institute for Molecular Studies

2D 3D TSV

24649802

Oseltamivir analogues bearing N-substituted guanidines as potent neuraminidase inhibitors.

J Med Chem 57: 3154-60 (2014)

Utrecht University

2D 3D TSV

24648867

Chiral Effect of a Phe Residue in Position 3 of the Dmt

ACS Med Chem Lett 4: 656-659 (2013)

University of Arizona

2D 3D TSV

24648521

Deciphering the binding of caveolin-1 to client protein endothelial nitric-oxide synthase (eNOS): scaffolding subdomain identification, interaction modeling, and biological significance.

J Biol Chem 289: 13273-83 (2014)

St. Paul's Hospital's Centre of Heart and Lung Innovation

2D 3D TSV

24644281

Fatty acid-binding protein 5 (FABP5) regulates cognitive function both by decreasing anandamide levels and by activating the nuclear receptor peroxisome proliferator-activated receptor �/d (PPAR�/d) in the brain.

J Biol Chem 289: 12748-58 (2014)

Case Western Reserve University School of Medicine

2D 3D TSV

24642566

Acyl hydrazides and triazoles as novel inhibitors of mammalian cathepsin B and cathepsin H.

Eur J Med Chem 77: 231-42 (2014)

Kurukshetra University

2D 3D TSV

24641677

1,3-disubstituted-4-aminopyrazolo [3, 4-d] pyrimidines, a new class of potent inhibitors for phospholipase D.

Chem Biol Drug Des 84: 270-81 (2014)

University of Massachusetts Boston

2D 3D TSV

24641190

Development of a bioavailable� opioid receptor (MOPr) agonist,d opioid receptor (DOPr) antagonist peptide that evokes antinociception without development of acute tolerance.

J Med Chem 57: 3148-53 (2014)

University of Michigan

2D 3D TSV

24641103

Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.

J Med Chem 57: 3430-49 (2014)

Amgen Inc

2D 3D TSV

104

24641010

Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP).

J Med Chem 57: 2773-88 (2014)

Imperial College

2D 3D TSV

24636945

Pyrazoles as non-classical bioisosteres in prolylcarboxypeptidase (PrCP) inhibitors.

Bioorg Med Chem Lett 24: 1657-60 (2014)

Merck Research Laboratories

2D 3D TSV

24636540

Synthesis and biologic evaluation of substituted 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one derivatives as selective COX-2 inhibitors: molecular docking study.

Chem Biol Drug Des 84: 409-19 (2014)

Y.B. Chavan College of Pharmacy

2D 3D TSV

24636345

Discovery and Structure Optimization of a Series of Isatin Derivatives as Mycobacterium tuberculosis Chorismate Mutase Inhibitors.

Chem Biol Drug Des 83: 498-506 (2014)

Birla Institute of Technology

2D 3D TSV

24634223

Trimethylation of histone H3 lysine 36 by human methyltransferase PRDM9 protein.

J Biol Chem 289: 12177-88 (2014)

University of Toronto

2D 3D TSV

24634219

A novel small-molecule tumor necrosis factor a inhibitor attenuates inflammation in a hepatitis mouse model.

J Biol Chem 289: 12457-66 (2014)

Institute of Hematology and Blood Diseases Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College

2D 3D TSV

24632506

Synthesis and evaluation of c-Src kinase inhibitory activity of pyridin-2(1H)-one derivatives.

Bioorg Chem 53: 75-82 (2014)

University of Delhi, Delhi 110007, India

2D 3D TSV

24631898

Rational design, synthesis and evaluation of chromone-indole and chromone-pyrazole based conjugates: identification of a lead for anti-inflammatory drug.

Eur J Med Chem 77: 185-92 (2014)

Guru Nanak Dev University

2D 3D TSV

24631895

1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamides: synthesis, molecular modeling, evaluation of their anti-inflammatory activity and ulcerogenicity.

Eur J Med Chem 77: 155-65 (2014)

Minia University

2D 3D TSV

24631727

Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles.

Eur J Med Chem 77: 91-5 (2014)

Universitat Pompeu Fabra

2D 3D TSV

24631365

Synthesis and biological evaluation of new pyrazolone-pyridazine conjugates as anti-inflammatory and analgesic agents.

Bioorg Med Chem 22: 2080-9 (2014)

Cairo University

2D 3D TSV

24631361

Fused heterocyclic compounds bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 1: design, synthesis and biological evaluation of novel 5,7-disubstituted pyrazolo[1,5-a]pyrimidine derivatives.

Bioorg Med Chem 22: 2052-9 (2014)

Shandong University

2D 3D TSV

24631359

N-Acyl-phosphoramidates as potential novel form of gemcitabine prodrugs.

Bioorg Med Chem 22: 2133-40 (2014)

Polish Academy of Sciences

2D 3D TSV

24631189

Structure-based design and synthesis of tricyclic IAP (Inhibitors of Apoptosis Proteins) inhibitors.

Bioorg Med Chem Lett 24: 1820-4 (2014)

AstraZeneca

2D 3D TSV

24631188

Optimization of plasmepsin inhibitor by focusing on similar structural feature with chloroquine to avoid drug-resistant mechanism of Plasmodium falciparum.

Bioorg Med Chem Lett 24: 1698-701 (2014)

Kyoto Pharmaceutical University

2D 3D TSV

24630695

Decreasing acidity in a series of aldose reductase inhibitors: 2-Fluoro-4-(1H-pyrrol-1-yl)phenol as a scaffold for improved membrane permeation.

Bioorg Med Chem 22: 2194-207 (2014)

Aristotle University of Thessaloniki

2D 3D TSV

24630694

Design and synthesis of silicon-containing steroid sulfatase inhibitors possessing pro-estrogen antagonistic character.

Bioorg Med Chem 22: 2244-52 (2014)

The University of Tokyo

2D 3D TSV

24630693

Some non-conventional biomolecular targets for diamidines. A short survey.

Bioorg Med Chem 22: 1983-92 (2014)

Xavier University of Louisiana

2D 3D TSV

24630562

Synthesis and evaluation of carbon-linked analogs of dual orexin receptor antagonist filorexant.

Bioorg Med Chem Lett 24: 1784-9 (2014)

Merck Research Laboratories

2D 3D TSV

24630560

Inhibitory effect of Rhus verniciflua Stokes extract on human aromatase activity; butin is its major bioactive component.

Bioorg Med Chem Lett 24: 1730-3 (2014)

Hanyang University

2D 3D TSV

24630558

Design, synthesis, and characterization of novel, nonquaternary reactivators of GF-inhibited human acetylcholinesterase.

Bioorg Med Chem Lett 24: 1711-4 (2014)

Southwest Research Institute

2D 3D TSV

24630412

Schiff's base derivatives bearing nitroimidazole and quinoline nuclei: new class of anticancer agents and potential EGFR tyrosine kinase inhibitors.

Bioorg Med Chem Lett 24: 1734-6 (2014)

Nanjing University

2D 3D TSV

24630411

Mineralocorticoid receptor antagonists: identification of heterocyclic amide replacements in the oxazolidinedione series.

Bioorg Med Chem Lett 24: 1681-4 (2014)

Merck Research Laboratories

2D 3D TSV

24629449

Computer-aided identification of novel 3,5-substituted rhodanine derivatives with activity against Staphylococcus aureus DNA gyrase.

Bioorg Med Chem 22: 2176-87 (2014)

University of the Sciences

2D 3D TSV

24629448

Synthetic approaches to the 2012 new drugs.

Bioorg Med Chem 22: 2005-32 (2014)

PharmaPhase Co., Ltd

2D 3D TSV

24625069

Structure-activity relationship studies toward the discovery of selective apelin receptor agonists.

J Med Chem 57: 2908-19 (2014)

University of Strasburg

2D 3D TSV

24625057

Chromodomain antagonists that target the polycomb-group methyllysine reader protein chromobox homolog 7 (CBX7).

J Med Chem 57: 2874-83 (2014)

University of Victoria

2D 3D TSV

24618511

A new potential approach to block HIV-1 replication via protein-protein interaction and strand-transfer inhibition.

Bioorg Med Chem 22: 2269-79 (2014)

Universit£ di Messina

2D 3D TSV

24618302

Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors.

Bioorg Med Chem Lett 24: 1790-4 (2014)

Merck Research Laboratories

2D 3D TSV

24618300

Synthesis and biological evaluation of a series of benzoxazole/benzothiazole-containing 2,3-dihydrobenzo[b][1,4]dioxine derivatives as potential antidepressants.

Bioorg Med Chem Lett 24: 1766-70 (2014)

Huazhong University of Science and Technology

2D 3D TSV

24617858

Extended structure-activity relationship and pharmacokinetic investigation of (4-quinolinoyl)glycyl-2-cyanopyrrolidine inhibitors of fibroblast activation protein (FAP).

J Med Chem 57: 3053-74 (2014)

University of Antwerp

2D 3D TSV

239

24617836

Synthesis, pharmacological evaluation, ands1 receptor interaction analysis of hydroxyethyl substituted piperazines.

J Med Chem 57: 2884-94 (2014)

University of M£nster

2D 3D TSV

24613701

Synthesis and in vitro evaluation of small-molecule [18F] labeled gonadotropin-releasing hormone (GnRH) receptor antagonists as potential PET imaging agents for GnRH receptor expression.

Bioorg Med Chem Lett 24: 1846-50 (2014)

Norwegian Medical Cyclotron Centre, PO Box 4950, Nydalen, N-0424 Oslo, Norway.

2D 3D TSV

24613627

Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.

Bioorg Med Chem 22: 2236-43 (2014)

Chinese Academy of Sciences

2D 3D TSV

24613626

Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein.

Bioorg Med Chem 22: 2311-9 (2014)

Medical University Vienna

2D 3D TSV

24613625

The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.

Bioorg Med Chem 22: 2157-65 (2014)

St. Jude Children's Research Hospital

2D 3D TSV

24613457

Endomorphin analogues with mixed�-opioid (MOP) receptor agonism/d-opioid (DOP) receptor antagonism and lacking�-arrestin2 recruitment activity.

Bioorg Med Chem 22: 2208-19 (2014)

Nanjing Medical University

2D 3D TSV

24613378

Alkylsulfone-containing trisubstituted cyclohexanes as potent and bioavailable chemokine receptor 2 (CCR2) antagonists.

Bioorg Med Chem Lett 24: 1843-5 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24613052

Pyrrolopyrimidine-inhibitors with hydantoin moiety as spacer can explore P4/S4 interaction on plasmin.

Bioorg Med Chem 22: 2339-52 (2014)

Hiroshima International University

2D 3D TSV

24612767

Discovery of novel secretory phospholipase A2 inhibitors using virtual screen.

Chem Biol Drug Des 84: 216-22 (2014)

Peking University

2D 3D TSV

24611893

Symmetric bis-chalcones as a new type of breast cancer resistance protein inhibitors with a mechanism different from that of chromones.

J Med Chem 57: 2930-41 (2014)

BMSSI UMR 5086 CNRS/Universit£ Lyon 1

2D 3D TSV

24611879

Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.

J Med Chem 57: 3094-116 (2014)

Amgen Inc

2D 3D TSV

24611085

Discovery of ML314, a Brain Penetrant Non-Peptidic?-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor.

ACS Med Chem Lett 4: 846-851 (2013)

Sanford-Burnham Medical Research Institute

2D 3D TSV

Thrombin inhibitory activity of some polyphenolic compounds.

24610996

Med Chem Res 23: 2324-2337 (2014)

University of Lodz

2D 3D TSV

24608000

New synthesis of 3-(�-D-glucopyranosyl)-5-substituted-1,2,4-triazoles, nanomolar inhibitors of glycogen phosphorylase.

Eur J Med Chem 76: 567-79 (2014)

University of Debrecen

2D 3D TSV

24607999

SAR study on arylmethyloxyphenyl scaffold: looking for a P-gp nanomolar affinity.

Eur J Med Chem 76: 558-66 (2014)

Universit£ di Pisa

2D 3D TSV

24607998

Design, synthesis and molecular modeling of pyrazole-quinoline-pyridine hybrids as a new class of antimicrobial and anticancer agents.

Eur J Med Chem 76: 549-57 (2014)

Nanjing University

2D 3D TSV

24607877

Celecoxib analogs bearing benzofuran moiety as cyclooxygenase-2 inhibitors: design, synthesis and evaluation as potential anti-inflammatory agents.

Eur J Med Chem 76: 482-93 (2014)

Cairo University

2D 3D TSV

24607591

Synthesis and evaluation of 2-anilinopyrimidines bearing 3-aminopropamides as potential epidermal growth factor receptor inhibitors.

Eur J Med Chem 77: 75-83 (2014)

China Pharmaceutical University

2D 3D TSV

24607578

Development of novel pyrazolone derivatives as inhibitors of aldose reductase: an eco-friendly one-pot synthesis, experimental screening and in silico analysis.

Bioorg Chem 53: 67-74 (2014)

Swami Ramanand Teerth Marathwada University, Nanded (MS), India

2D 3D TSV

24606395

Alkaloids from the roots of Stichoneuron caudatum and their acetylcholinesterase inhibitory activities.

J Nat Prod 77: 894-901 (2014)

University of Wollongong

2D 3D TSV

24606063

Fragment-based identification of an inducible binding site on cell surface receptor CD44 for the design of protein-carbohydrate interaction inhibitors.

J Med Chem 57: 2714-25 (2014)

University of Minnesota

2D 3D TSV

24602903

Evaluation of bisindole as potent�-glucuronidase inhibitors: synthesis and in silico based studies.

Bioorg Med Chem Lett 24: 1825-9 (2014)

University of Karachi

2D 3D TSV

24602795

Discovery of nitropyridine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors via a structure-based core refining approach.

Eur J Med Chem 76: 531-8 (2014)

Shandong University

2D 3D TSV

24602793

Identification of human presequence protease (hPreP) agonists for the treatment of Alzheimer's disease.

Eur J Med Chem 76: 506-16 (2014)

University of Kansas

2D 3D TSV

24602792

Benzimidazole: an emerging scaffold for analgesic and anti-inflammatory agents.

Eur J Med Chem 76: 494-505 (2014)

ASBASJSM College of Pharmacy

2D 3D TSV

24602787

Development and characterization of 3-(benzylsulfonamido)benzamides as potent and selective SIRT2 inhibitors.

Eur J Med Chem 76: 414-26 (2014)

Northwestern University

2D 3D TSV

24602401

[Dmt(1)]DALDA analogues with enhanced� opioid agonist potency and with a mixed�/� opioid activity profile.

Bioorg Med Chem 22: 2333-8 (2014)

Nanjing Medical University

2D 3D TSV

24601669

Potential anti-angiogenesis effects of p-terphenyl compounds from Polyozellus multiplex.

J Nat Prod 77: 963-8 (2014)

Meiji Pharmaceutical University

2D 3D TSV

24601644

Novel inhibitors of the MDM2-p53 interaction featuring hydrogen bond acceptors as carboxylic acid isosteres.

J Med Chem 57: 2963-88 (2014)

Amgen Inc

2D 3D TSV

113

24601592

Imidazol-1-ylethylindazole voltage-gated sodium channel ligands are neuroprotective during optic neuritis in a mouse model of multiple sclerosis.

J Med Chem 57: 2942-52 (2014)

University College London

2D 3D TSV

24599514

The SAMPL4 host-guest blind prediction challenge: an overview.

J Comput Aided Mol Des 28: 305-17 (2014)

University of California San Diego

2D 3D TSV

24597921

Prenylated coumarins: natural phosphodiesterase-4 inhibitors from Toddalia asiatica.

J Nat Prod 77: 955-62 (2014)

Sun Yat-sen University

2D 3D TSV

24597733

Optimization of potency and pharmacokinetic properties of tetrahydroisoquinoline transient receptor potential melastatin 8 (TRPM8) antagonists.

J Med Chem 57: 2989-3004 (2014)

Amgen Inc

2D 3D TSV

24594525

Design, synthesis and biological evaluation of D-ring opened galantamine analogs as multifunctional anti-Alzheimer agents.

Eur J Med Chem 76: 376-86 (2014)

Southeast University

2D 3D TSV

24594354

Synthesis and discovery of highly functionalized mono- and bis-spiro-pyrrolidines as potent cholinesterase enzyme inhibitors.

Bioorg Med Chem Lett 24: 1815-9 (2014)

Universiti Sains Malaysia

2D 3D TSV

24593905

Application of encoded library technology (ELT) to a protein-protein interaction target: discovery of a potent class of integrin lymphocyte function-associated antigen 1 (LFA-1) antagonists.

Bioorg Med Chem 22: 2353-65 (2014)

GlaxoSmithKline

2D 3D TSV

24593120

Highly conjugated norditerpenoid and pyrroloquinoline alkaloids with potent PTP1B inhibitory activity from Nigella glandulifera.

J Nat Prod 77: 807-12 (2014)

Chinese Academy of Sciences

2D 3D TSV

24592914

Targeting Staphylococcus aureus quorum sensing with nonpeptidic small molecule inhibitors.

J Med Chem 57: 2813-9 (2014)

University of Nottingham

2D 3D TSV

24592867

Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis.

J Med Chem 57: 2755-72 (2014)

CSIC

2D 3D TSV

24592859

Cathepsin C inhibitors: property optimization and identification of a clinical candidate.

J Med Chem 57: 2357-67 (2014)

AstraZeneca

2D 3D TSV

24589511

Synthesis and carbonic anhydrase I, II, IX and XII inhibition studies of 4-N,N-disubstituted sulfanilamides incorporating 4,4,4-trifluoro-3-oxo-but-1-enyl, phenacylthiourea and imidazol-2(3H)-one/thione moieties.

Bioorg Med Chem Lett 24: 1776-9 (2014)

University of Cagliari

2D 3D TSV

24589487

Design, synthesis and evaluation of genistein-O-alkylbenzylamines as potential multifunctional agents for the treatment of Alzheimer's disease.

Eur J Med Chem 76: 314-31 (2014)

Sichuan University

2D 3D TSV

24589486

Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity.

Eur J Med Chem 76: 301-13 (2014)

Tohoku Pharmaceutical University

2D 3D TSV

24589484

4-Functionalized 1,3-diarylpyrazoles bearing benzenesulfonamide moiety as selective potent inhibitors of the tumor associated carbonic anhydrase isoforms IX and XII.

Eur J Med Chem 76: 284-90 (2014)

Kurukshetra University

2D 3D TSV

24588963

Discovery of 3-(4-methanesulfonylphenoxy)-N-[1-(2-methoxy-ethoxymethyl)-1H-pyrazol-3-yl]-5-(3-methylpyridin-2-yl)-benzamide as a novel glucokinase activator (GKA) for the treatment of type 2 diabetes mellitus.

Bioorg Med Chem 22: 2280-93 (2014)

Yuhan Research Institute

2D 3D TSV

24588961

Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa).

Bioorg Med Chem 22: 2261-8 (2014)

AstraZeneca

2D 3D TSV

24588269

Biologically active eremophilane-type sesquiterpenes from Camarops sp., an endophytic fungus isolated from Alibertia macrophylla.

J Nat Prod 77: 668-72 (2014)

Universidade Estadual Paulista

2D 3D TSV

24588105

Synthesis and evaluation of new Hsp90 inhibitors based on a 1,4,5-trisubstituted 1,2,3-triazole scaffold.

J Med Chem 57: 2258-74 (2014)

Universit£ degli Studi di Siena

2D 3D TSV

24588073

Identification and optimization of new dual inhibitors of B-Raf and epidermal growth factor receptor kinases for overcoming resistance against vemurafenib.

J Med Chem 57: 2692-703 (2014)

Chinese Academy of Sciences

2D 3D TSV

24583379

Discovery of novel urea derivatives as dual-target hypoglycemic agents that activate glucokinase and PPAR�.

Eur J Med Chem 76: 182-92 (2014)

Chinese Academy of Medical Sciences & Peking Union Medical College

2D 3D TSV

24583357

Recent advances in the structural library of functionalized quinazoline and quinazolinone scaffolds: synthetic approaches and multifarious applications.

Eur J Med Chem 76: 193-244 (2014)

Quaid-i-Azam University

2D 3D TSV

24583353

The applications of binuclear metallohydrolases in medicine: recent advances in the design and development of novel drug leads for purple acid phosphatases, metallo-�-lactamases and arginases.

Eur J Med Chem 76: 132-44 (2014)

The University of Queensland

2D 3D TSV

24583352

Homoisoflavonoids as potential imaging agents for ?-amyloid plaques in Alzheimer's disease.

Eur J Med Chem 76: 125-31 (2014)

Hefei University of Technology

2D 3D TSV

24582987

The discovery of reverse tricyclic pyridone JAK2 inhibitors. Part 2: lead optimization.

Bioorg Med Chem Lett 24: 1466-71 (2014)

Merck & Co.

2D 3D TSV

24582986

Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.

Bioorg Med Chem Lett 24: 1484-8 (2014)

Research & Development, AbbVie

2D 3D TSV

24582985

5-Hydroxy-2-(2-phenylethyl)chromone (5-HPEC): a novel non-nitrogenous ligand for 5-HT2B receptor.

Bioorg Med Chem Lett 24: 1489-92 (2014)

Virginia Commonwealth University

2D 3D TSV

24582477

Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold.

Bioorg Med Chem Lett 24: 1557-61 (2014)

China Pharmaceutical University

2D 3D TSV

24582476

cis-1-Oxo-heterocyclyl-4-amido cyclohexane derivatives as NPY5 receptor antagonists.

Bioorg Med Chem Lett 24: 1458-61 (2014)

Lundbeck Research USA, Inc.

2D 3D TSV

24581547

Interaction kinetics of liposome-incorporated unsaturated fatty acids with fatty acid-binding protein 3 by surface plasmon resonance.

Bioorg Med Chem 22: 1804-8 (2014)

Osaka University

2D 3D TSV

24581546

Discovery of 2-pyridone derivatives as potent HIV-1 NNRTIs using molecular hybridization based on crystallographic overlays.

Bioorg Med Chem 22: 1863-72 (2014)

Shandong University

2D 3D TSV

24580635

Structure-activity relationship refinement and further assessment of 4-phenylquinazoline-2-carboxamide translocator protein ligands as antiproliferative agents in human glioblastoma tumors.

J Med Chem 57: 2413-28 (2014)

Universit£ di Salerno

2D 3D TSV

24580531

Differences in conformational dynamics between Plasmodium falciparum and human Hsp90 orthologues enable the structure-based discovery of pathogen-selective inhibitors.

J Med Chem 57: 2524-35 (2014)

University of Geneva

2D 3D TSV

24576797

Part I. Synthesis, biological evaluation and docking studies of new 2-furylbenzimidazoles as antiangiogenic agents.

Eur J Med Chem 87: 868-80 (2014)

National Research Centre, Dokki

2D 3D TSV

24571273

Spiromastixones A-O, antibacterial chlorodepsidones from a deep-sea-derived Spiromastix sp. fungus.

J Nat Prod 77: 1021-30 (2014)

Peking University

2D 3D TSV

24571165

Targeting carnitine biosynthesis: discovery of new inhibitors against�-butyrobetaine hydroxylase.

J Med Chem 57: 2213-36 (2014)

Latvian Biomedical Research and Study centre

2D 3D TSV

24569110

Discovery of dual ZAP70 and Syk kinases inhibitors by docking into a rare C-helix-out conformation of Syk.

Bioorg Med Chem Lett 24: 1523-7 (2014)

University of Zurich

2D 3D TSV

24568695

Strategies to inhibit tumor associated integrin receptors: rationale for dual and multi-antagonists.

J Med Chem 57: 6301-15 (2014)

University of Bradford

2D 3D TSV

24568657

Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata.

J Med Chem 57: 2643-56 (2014)

University of Connecticut

2D 3D TSV

24568631

Design of novel potent antihyperlipidemic agents with antioxidant/anti-inflammatory properties: exploiting phenothiazine's strong antioxidant activity.

J Med Chem 57: 2568-81 (2014)

University of Athens

2D 3D TSV

24568559

Multitarget drug discovery for tuberculosis and other infectious diseases.

J Med Chem 57: 3126-39 (2014)

University of Illinois at Urbana-Champaign

2D 3D TSV

24568372

Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.

J Med Chem 57: 2549-67 (2014)

Universitat de Barcelona

2D 3D TSV

24568342

X-ray structural and biological evaluation of a series of potent and highly selective inhibitors of human coronavirus papain-like proteases.

J Med Chem 57: 2393-412 (2014)

Purdue University

2D 3D TSV

24568313

Novel spiroketal pyrrolidine GSK2336805 potently inhibits key hepatitis C virus genotype 1b mutants: from lead to clinical compound.

J Med Chem 57: 2058-73 (2014)

GlaxoSmithKline

2D 3D TSV

24568185

wALADin benzimidazoles differentially modulate the function of porphobilinogen synthase orthologs.

J Med Chem 57: 2498-510 (2014)

University Hospital of Bonn

2D 3D TSV

24568174

One-step semisynthesis of oleacein and the determination as a 5-lipoxygenase inhibitor.

J Nat Prod 77: 441-5 (2014)

University of Athens

2D 3D TSV

24565972

Development of novel tetrahydrothieno[2,3-c]pyridine-3-carboxamide based Mycobacterium tuberculosis pantothenate synthetase inhibitors: molecular hybridization from known antimycobacterial leads.

Bioorg Med Chem 22: 1938-47 (2014)

Birla Institute of Technology

2D 3D TSV

24565969

Design, synthesis and biological evaluation of novel 6-alkenylamides substituted of 4-anilinothieno[2,3-d]pyrimidines as irreversible epidermal growth factor receptor inhibitors.

Bioorg Med Chem 22: 2366-78 (2014)

Chinese Academy of Sciences

2D 3D TSV

24565968

Polyphenols bearing cinnamaldehyde scaffold showing cell growth inhibitory effects on the cisplatin-resistant A2780/Cis ovarian cancer cells.

Bioorg Med Chem 22: 1809-20 (2014)

Konkuk University

2D 3D TSV

24565573

4,5,6,7-Tetrahydro-isoxazolo-[4,5-c]-pyridines as a new class of cytotoxic Hsp90 inhibitors.

Eur J Med Chem 76: 53-60 (2014)

Universit£ degli Studi di Ferrara

2D 3D TSV

24564570

Diamidine compounds for selective inhibition of protein arginine methyltransferase 1.

J Med Chem 57: 2611-22 (2014)

The University of Georgia

2D 3D TSV

24564525

Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility.

J Med Chem 57: 3687-706 (2014)

Chinese Academy of Sciences

2D 3D TSV

24563723

Preparation and activities of macromolecule conjugates of the CCR5 antagonist Maraviroc.

ACS Med Chem Lett 5: 133-137 (2014)

The Scripps Research Institute

2D 3D TSV

24561716

Identification of a new series of amides as non-covalent proteasome inhibitors.

Eur J Med Chem 76: 1-9 (2014)

Universit£ degli Studi di Messina

2D 3D TSV

24560739

Design, synthesis and evaluation of N-substituted saccharin derivatives as selective inhibitors of tumor-associated carbonic anhydrase XII.

Bioorg Med Chem 22: 1821-31 (2014)

Sapienza University of Rome

2D 3D TSV

124

24560738

Alkynyl-coumarinyl ethers as MAO-B inhibitors.

Bioorg Med Chem 22: 1916-28 (2014)

University of Bonn

2D 3D TSV

24560737

Benzenesulfonamide bearing 1,2,4-triazole scaffolds as potent inhibitors of tumor associated carbonic anhydrase isoforms hCA IX and hCA XII.

Bioorg Med Chem 22: 1873-82 (2014)

Kurukshetra University

2D 3D TSV

24560540

Preparation and optimization of new 4-(2-(indolin-1-yl)-2-oxoethyl)-2-morpholinothiazole-5-carboxylic acid and amide derivatives as potent and selective PI3K� inhibitors.

Bioorg Med Chem Lett 24: 1506-10 (2014)

Sanofi

2D 3D TSV

119

24560539

Discovery of 1,3,4-oxidiazole scaffold compounds as inhibitors of superoxide dismutase expression.

Bioorg Med Chem Lett 24: 1532-7 (2014)

Northwestern University

2D 3D TSV

24560538

Preparation and evaluation of novel pyrazolo[1,5-a]pyrimidine acetamides, closely related to DPA-714, as potent ligands for imaging the TSPO 18kDa with PET.

Bioorg Med Chem Lett 24: 1550-6 (2014)

CEA

2D 3D TSV

24559867

Development of novel silicon-containing inverse agonists of retinoic acid receptor-related orphan receptors.

Bioorg Med Chem 22: 1948-59 (2014)

The University of Tokyo

2D 3D TSV

24559768

Development of tag-free photoprobes for studies aimed at identifying the target of novel Group A Streptococcus antivirulence agents.

Bioorg Med Chem Lett 24: 1538-44 (2014)

University of Michigan

2D 3D TSV

24559070

A perspective on natural products research and ethnopharmacology in Mexico: the eagle and the serpent on the prickly pear cactus.

J Nat Prod 77: 678-89 (2014)

University of London

2D 3D TSV

24559051

Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.

J Med Chem 57: 2670-82 (2014)

Intra-Cellular Therapies Inc

2D 3D TSV

141

24556381

Synthesis and evaluation of 2-(1H-indol-3-yl)-4-phenylquinolines as inhibitors of cholesterol esterase.

Bioorg Med Chem Lett 24: 1545-9 (2014)

Universidad de Buenos Aires

2D 3D TSV

24556380

Quality by design (QbD) of amide isosteres: 5,5-Disubstituted isoxazolines as potent CRTh2 antagonists with favorable pharmacokinetic and drug-like properties.

Bioorg Med Chem Lett 24: 1615-20 (2014)

Merck Research Laboratories

2D 3D TSV

24556379

Synthesis of novel l-rhamnose derived acyclic C-nucleosides with substituted 1,2,3-triazole core as potent sodium-glucose co-transporter (SGLT) inhibitors.

Bioorg Med Chem Lett 24: 1528-31 (2014)

CSIR-Indian Institute of Chemical Technology

2D 3D TSV

24556147

Novel 8-(p-substituted-phenyl/benzyl)xanthines with selectivity for the A2A adenosine receptor possess bronchospasmolytic activity.

Eur J Med Chem 75: 327-35 (2014)

Panjab University

2D 3D TSV

24556146

Monovalent mannose-based DC-SIGN antagonists: targeting the hydrophobic groove of the receptor.

Eur J Med Chem 75: 308-26 (2014)

University of Ljubljana

2D 3D TSV

24556143

Design, synthesis and molecular modeling of aloe-emodin derivatives as potent xanthine oxidase inhibitors.

Eur J Med Chem 75: 289-96 (2014)

Hainan University

2D 3D TSV

24555570

Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection.

J Med Chem 57: 1708-29 (2014)

Bristol-Myers Squibb Research and Development

2D 3D TSV

24548297

Selective and potent morpholinone inhibitors of the MDM2-p53 protein-protein interaction.

J Med Chem 57: 2472-88 (2014)

Amgen Inc

2D 3D TSV

24548207

Heat shock protein 70 inhibitors. 1. 2,5'-thiodipyrimidine and 5-(phenylthio)pyrimidine acrylamides as irreversible binders to an allosteric site on heat shock protein 70.

J Med Chem 57: 1188-207 (2014)

Memorial Sloan-Kettering Cancer Center

2D 3D TSV

24547899

Isolation and synthesis of pulmonarins A and B, acetylcholinesterase inhibitors from the colonial ascidian Synoicum pulmonaria.

J Nat Prod 77: 364-9 (2014)

University of Troms£

2D 3D TSV

24534538

Bis(ammonio)alkane-type agonists of muscarinic acetylcholine receptors: synthesis, in vitro functional characterization, and in vivo evaluation of their analgesic activity.

Eur J Med Chem 75: 222-32 (2014)

Universit£ degli Studi di Milano

2D 3D TSV

24534487

New C(4)- and C(1)-derivatives of furo[3,4-c]pyridine-3-ones and related compounds: evidence for site-specific inhibition of the constitutive proteasome and its immunoisoform.

Bioorg Med Chem Lett 24: 1571-80 (2014)

Yerevan State University

2D 3D TSV

24534486

2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.

Bioorg Med Chem Lett 24: 1592-6 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24533839

Synthesis, biological evaluation, and structure-activity relationships of potent noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents.

J Med Chem 57: 2380-92 (2014)

Universidade de S£o Paulo

2D 3D TSV

24531230

2-[N-Alkyl(R-phenyl)-aminomethyl]-3-phenyl-7-trifluoromethylquinoxalines as anticancer agents inhibitors of folate enzymes.

Eur J Med Chem 75: 169-83 (2014)

Universit£ degli Studi di Sassari

2D 3D TSV

24531229

New 1-arylindoles based serotonin 5-HT7 antagonists. Synthesis and binding evaluation studies.

Eur J Med Chem 75: 159-68 (2014)

Universit£ de Lyon

2D 3D TSV

24531224

Design, synthesis and biological evaluation of hetero-aromatic moieties substituted pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.

Eur J Med Chem 75: 111-22 (2014)

Shenyang Pharmaceutical University

2D 3D TSV

24531199

Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles.

Eur J Med Chem 74: 606-18 (2014)

University of Bari "A. Moro"

2D 3D TSV

24530494

Design, synthesis, pharmacological evaluation, QSAR analysis, molecular modeling and ADMET of novel donepezil-indolyl hybrids as multipotent cholinesterase/monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease.

Eur J Med Chem 75: 82-95 (2014)

Laboratorio de Quimica Medica (IQOG, CSIC)

2D 3D TSV

24530227

Synthesis, biological evaluation and molecular modelling studies of 4-anilinoquinazoline derivatives as protein kinase inhibitors.

Bioorg Med Chem 22: 1909-15 (2014)

Rajiv Gandhi Proudyogiki Vishwavidyalaya

2D 3D TSV

24530032

Structure-based optimization of cyclopropyl urea derivatives as potent soluble epoxide hydrolase inhibitors for potential decrease of renal injury without hypotensive action.

Bioorg Med Chem 22: 1548-57 (2014)

Dainippon Sumitomo Pharma Co., Ltd

2D 3D TSV

24530031

Design, synthesis and biological evaluation of 7-nitro-1H-indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase.

Bioorg Med Chem 22: 1850-62 (2014)

Chinese Academy of Medical Sciences & Peking Union Medical College

2D 3D TSV

24529871

Inhibition of cellular proliferation and induction of apoptosis in human lung adenocarcinoma A549 cells by T-type calcium channel antagonist.

Bioorg Med Chem Lett 24: 1565-70 (2014)

Kyung Hee University

2D 3D TSV

24529308

Synthesis of 2,6-disubstituted benzylamine derivatives as reversible selective inhibitors of copper amine oxidases.

Bioorg Med Chem 22: 1558-67 (2014)

Universit£ di Genova

2D 3D TSV

24527807

1-(2-Hydroxy-2-methyl-3-phenoxypropanoyl)indoline-4-carbonitrile derivatives as potent and tissue selective androgen receptor modulators.

J Med Chem 57: 2462-71 (2014)

Pfizer Inc

2D 3D TSV

24527792

Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors.

J Med Chem 57: 2807-12 (2014)

Universit£ degli Studi di Perugia

2D 3D TSV

24527772

The discovery of N-((2H-tetrazol-5-yl)methyl)-4-((R)-1-((5r,8R)-8-(tert-butyl)-3-(3,5-dichlorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl)-4,4-dimethylpentyl)benzamide (SCH 900822): a potent and selective glucagon receptor antagonist.

J Med Chem 57: 2601-10 (2014)

Merck Research Laboratories

2D 3D TSV

262

24525003

Design, synthesis and preliminary bioactivity studies of 1,2-dihydrobenzo[d]isothiazol-3-one-1,1-dioxide hydroxamic acid derivatives as novel histone deacetylase inhibitors.

Bioorg Med Chem 22: 1529-38 (2014)

Shandong University

2D 3D TSV

24524217

Structurally novel highly potent proteasome inhibitors created by the structure-based hybridization of nonpeptidic belactosin derivatives and peptide boronates.

J Med Chem 57: 2726-35 (2014)

Hokkaido University

2D 3D TSV

24523409

Coregulator control of androgen receptor action by a novel nuclear receptor-binding motif.

J Biol Chem 289: 8839-51 (2014)

Karlsruhe Institute of Technology

2D 3D TSV

24521299

Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir.

J Med Chem 57: 2013-32 (2014)

Bristol-Myers Squibb Research and Development

2D 3D TSV

24521209

Isolation of arginase inhibitors from the bioactivity-guided fractionation of Byrsonima coccolobifolia leaves and stems.

J Nat Prod 77: 392-6 (2014)

Universidade Federal de S£o Carlos

2D 3D TSV

24521095

Chemical composition of the bark of Tetrapterys mucronata and identification of acetylcholinesterase inhibitory constituents.

J Nat Prod 77: 650-6 (2014)

Universidade Estadual Paulista (UNESP)

2D 3D TSV

24521039

Nitric oxide (NO) releasing poly ADP-ribose polymerase 1 (PARP-1) inhibitors targeted to glutathione S-transferase P1-overexpressing cancer cells.

J Med Chem 57: 2292-302 (2014)

National Cancer Institute-Frederick

2D 3D TSV

24520998

2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate: an appealing scaffold for the design of Rac1-Tiam1 protein-protein interaction inhibitors.

J Med Chem 57: 2953-62 (2014)

Universit£ degli Studi di Milano

2D 3D TSV

24520947

Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors.

J Med Chem 57: 2683-91 (2014)

Hoffmann-La Roche Inc

2D 3D TSV

24520856

Design, synthesis, and pharmacological evaluation of fluorinated tetrahydrouridine derivatives as inhibitors of cytidine deaminase.

J Med Chem 57: 2582-8 (2014)

Eisai Inc.

2D 3D TSV

24518874

1,2-Dihydro-2-oxopyridine-3-carboxamides: the C-5 substituent is responsible for functionality switch at CB2 cannabinoid receptor.

Eur J Med Chem 74: 524-32 (2014)

Universit£ di Pisa

2D 3D TSV

24518296

Discovery of simplified N�-substituted pyrazolo[3,4-d]pyrimidine derivatives as novel adenosine receptor antagonists: efficient synthetic approaches, biological evaluations and molecular docking studies.

Bioorg Med Chem 22: 1751-65 (2014)

National University of Singapore

2D 3D TSV

119

24518190

6-Triazolyl-substituted sulfocoumarins are potent, selective inhibitors of the tumor-associated carbonic anhydrases IX and XII.

Bioorg Med Chem Lett 24: 1256-60 (2014)

Latvian Institute of Organic Synthesis

2D 3D TSV

24517312

Identification of tetrapeptides from a mixture based positional scanning library that can restore nM full agonist function of the L106P, I69T, I102S, A219V, C271Y, and C271R human melanocortin-4 polymorphic receptors (hMC4Rs).

J Med Chem 57: 4615-28 (2014)

University of Florida

2D 3D TSV

24517277

Therapeutic melting pot of never in mitosis gene a related kinase 2 (Nek2): a perspective on Nek2 as an oncology target and recent advancements in Nek2 small molecule inhibition.

J Med Chem 57: 5835-44 (2014)

The University of Arizona

2D 3D TSV

24517248

Synthesis and biological evaluation of new carbohydrate-substituted indenoisoquinoline topoisomerase I inhibitors and improved syntheses of the experimental anticancer agents indotecan (LMP400) and indimitecan (LMP776).

J Med Chem 57: 1495-512 (2014)

Purdue University

2D 3D TSV

24513188

Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists.

Bioorg Med Chem 22: 1596-607 (2014)

East China University of Science and Technology

2D 3D TSV

24513186

Synthesis of 6-tetrazolyl-substituted sulfocoumarins acting as highly potent and selective inhibitors of the tumor-associated carbonic anhydrase isoforms IX and XII.

Bioorg Med Chem 22: 1522-8 (2014)

Latvian Institute of Organic Synthesis

2D 3D TSV

24513184

Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, IX and XII with benzene sulfonamides incorporating 4- and 3-nitrophthalimide moieties.

Bioorg Med Chem 22: 1586-95 (2014)

Birla Institute of Technology

2D 3D TSV

24513048

1-Aryl-2-((6-aryl)pyrimidin-4-yl)amino)ethanols as competitive inhibitors of fatty acid amide hydrolase.

Bioorg Med Chem Lett 24: 1280-4 (2014)

Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C.

2D 3D TSV

24513046

Lactam sulfonamides as potent inhibitors of the Kv1.5 potassium ion channel.

Bioorg Med Chem Lett 24: 1269-73 (2014)

AstraZeneca

2D 3D TSV

24513044

Identification of 1-{2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxy-1,2-dihydrospiro[indole-3,4'-piperidine]-1-yl]phenyl}-3-{5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl}urea, a potent, efficacious and orally bioavailable P2Y(1) antagonist as an antiplatelet agent.

Bioorg Med Chem Lett 24: 1294-8 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24513042

Discovery of (1R,6S)-5-[4-(1-cyclobutyl-piperidin-4-yloxy)-phenyl]-3,4-diaza-bicyclo[4.1.0]hept-4-en-2-one (R,S-4a): histamine H(3) receptor inverse agonist demonstrating potent cognitive enhancing and wake promoting activity.

Bioorg Med Chem Lett 24: 1303-6 (2014)

Teva Pharmaceutical Global R & D

2D 3D TSV

24512267

Design, synthesis, and structure-activity relationship of a novel series of GluN2C-selective potentiators.

J Med Chem 57: 2334-56 (2014)

Emory University

2D 3D TSV

24512214

Discovery of potent Keap1-Nrf2 protein-protein interaction inhibitor based on molecular binding determinants analysis.

J Med Chem 57: 2736-45 (2014)

China Pharmaceutical University

2D 3D TSV

24512187

Discovery of isoquinolinone indole acetic acids as antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases.

J Med Chem 57: 1299-322 (2014)

Pfizer Inc

2D 3D TSV

24508831

Synthesis, biological evaluation and molecular modeling study of novel tacrine-carbazole hybrids as potential multifunctional agents for the treatment of Alzheimer's disease.

Eur J Med Chem 75: 21-30 (2014)

Khon Kaen University

2D 3D TSV

24508830

Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: toward the discovery of novel Akt1 inhibitors.

Eur J Med Chem 75: 11-20 (2014)

Zhejiang University

2D 3D TSV

24508142

Discovery of a novel series of indoline carbamate and indolinylpyrimidine derivatives as potent GPR119 agonists.

Bioorg Med Chem 22: 1649-66 (2014)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

24508141

Lead modification: amino acid appended indoles as highly effective 5-LOX inhibitors.

Bioorg Med Chem 22: 1642-8 (2014)

Guru Nanak Dev University

2D 3D TSV

24508140

Design, synthesis, radiolabeling and in vivo evaluation of potential positron emission tomography (PET) radioligands for brain imaging of the 5-HT? receptor.

Bioorg Med Chem 22: 1736-50 (2014)

Universit£ degli Studi di Bari A. Moro

2D 3D TSV

24508134

Syntheses and structure-activity relationships for some triazolyl p38? MAPK inhibitors.

Bioorg Med Chem Lett 24: 1352-7 (2014)

Syncom B.V.

2D 3D TSV

24508133

Discovery of 2-(1H-indazol-1-yl)-thiazole derivatives as selective EP(1) receptor antagonists for treatment of overactive bladder by core structure replacement.

Bioorg Med Chem Lett 24: 1327-33 (2014)

Asahi Kasei Pharma Corporation

2D 3D TSV

24508129

HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase.

Bioorg Med Chem Lett 24: 1315-21 (2014)

AstraZeneca

2D 3D TSV

24508127

Switching cannabinoid response from CB(2) agonists to FAAH inhibitors.

Bioorg Med Chem Lett 24: 1322-6 (2014)

University of Lille

2D 3D TSV

24507922

Discovery of a cyclopentylamine as an orally active dual NK1 receptor antagonist-serotonin reuptake transporter inhibitor.

Bioorg Med Chem Lett 24: 1611-4 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24507921

Synthesis, biological evaluation, hydration site thermodynamics, and chemical reactivity analysis ofa-keto substituted peptidomimetics for the inhibition of Plasmodium falciparum.

Bioorg Med Chem Lett 24: 1274-9 (2014)

University of Mississippi

2D 3D TSV

24507919

3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11�-hydroxysteroid dehydrogenase 1 inhibitor.

Bioorg Med Chem Lett 24: 1421-5 (2014)

Yonsei University

2D 3D TSV

24507918

Substituted benzene sulfonamides incorporating 1,3,5-triazinyl moieties potently inhibit human carbonic anhydrases II, IX and XII.

Bioorg Med Chem Lett 24: 1310-4 (2014)

Shri G.S. Institute of Technology and Science

2D 3D TSV

24507827

Reaction intermediate analogues as bisubstrate inhibitors of pantothenate synthetase.

Bioorg Med Chem 22: 1726-35 (2014)

Soochow University

2D 3D TSV

24506830

Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects.

J Med Chem 57: 1583-98 (2014)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

24503274

Synthesis, [�8F] radiolabeling, and evaluation of poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors for in vivo imaging of PARP-1 using positron emission tomography.

Bioorg Med Chem 22: 1700-7 (2014)

Washington University Saint Louis

2D 3D TSV

24502897

Toxicological and pharmacological evaluation, antioxidant, ADMET and molecular modeling of selected racemic chromenotacrines {11-amino-12-aryl-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-ols} for the potential prevention and treatment of Alzheimer's disease.

Eur J Med Chem 74: 491-501 (2014)

Universidad Complutense de Madrid

2D 3D TSV

24502334

Modulators of the nuclear receptor retinoic acid receptor-related orphan receptor-� (ROR� or RORc).

J Med Chem 57: 5871-92 (2014)

Genentech

2D 3D TSV

123

24499352

Bioactive limonoids from the leaves of Azaridachta indica (Neem).

J Nat Prod 77: 596-602 (2014)

Universidad de Los Andes

2D 3D TSV

24497639

Affinity map of bromodomain protein 4 (BRD4) interactions with the histone H4 tail and the small molecule inhibitor JQ1.

J Biol Chem 289: 9304-19 (2014)

Bayer HealthCare

2D 3D TSV

24495863

Structure activity relationship studies of 3-arylsulfonyl-pyrido[1,2-a]pyrimidin-4-imines as potent 5-HT? antagonists.

Bioorg Med Chem 22: 1782-90 (2014)

Bristol-Myers Squibb Research and Development

2D 3D TSV

24495846

Lipoxygenase inhibitors derived from marine macroalgae.

Bioorg Med Chem Lett 24: 1383-5 (2014)

Hokkaido University

2D 3D TSV

24495281

A facile one-pot synthesis of 2-arylamino-5-aryloxylalkyl-1,3,4-oxadiazoles and their urease inhibition studies.

Chem Biol Drug Des 84: 92-8 (2014)

Mirpur University of Science and Technology (MUST)

2D 3D TSV

24495105

Study of marine natural products including resorcyclic acid lactones from Humicola fuscoatra that reactivate latent HIV-1 expression in an in vitro model of central memory CD4+ T cells.

J Nat Prod 77: 618-24 (2014)

University of California

2D 3D TSV

24495018

Discovery and SAR of 6-alkyl-2,4-diaminopyrimidines as histamine H4 receptor antagonists.

J Med Chem 57: 2429-39 (2014)

Janssen Research and Development LLC

2D 3D TSV

24494745

Elucidation of structural elements for selectivity across monoamine transporters: novel 2-[(diphenylmethyl)sulfinyl]acetamide (modafinil) analogues.

J Med Chem 57: 1000-13 (2014)

National Institute on Drug Abuse-Intramural Research Program

2D 3D TSV

24494061

Potent and selective inhibitors of CDPK1 from

ACS Med Chem Lett 5: 40-44 (2014)

University of Washington

2D 3D TSV

24491635

Chemical constituents of Plectranthus amboinicus and the synthetic analogs possessing anti-inflammatory activity.

Bioorg Med Chem 22: 1766-72 (2014)

National Defense Medical Center, Taiwan

2D 3D TSV

24491459

Synthesis and biological evaluation of novel benzamide derivatives as potent smoothened antagonists.

Bioorg Med Chem Lett 24: 1426-31 (2014)

Sichuan University

2D 3D TSV

24491171

Discovery of a potent stapled helix peptide that binds to the 70N domain of replication protein A.

J Med Chem 57: 2455-61 (2014)

Vanderbilt University School of Medicine

2D 3D TSV

24491146

Imaging evaluation of 5HT2C agonists, [(11)C]WAY-163909 and [(11)C]vabicaserin, formed by Pictet-Spengler cyclization.

J Med Chem 57: 1488-94 (2014)

Harvard Medical School

2D 3D TSV

24487236

Optimization, pharmacophore modeling and 3D-QSAR studies of sipholanes as breast cancer migration and proliferation inhibitors.

Eur J Med Chem 73: 310-24 (2014)

University of Louisiana at Monroe

2D 3D TSV

24487191

Synthesis and evaluation of new coumarin derivatives as potential atypical antipsychotics.

Eur J Med Chem 74: 427-39 (2014)

Huazhong University of Science and Technology

2D 3D TSV

24486414

Synthesis and in vitro urease inhibitory activity of N,N'-disubstituted thioureas.

Eur J Med Chem 74: 314-23 (2014)

University Karachi

2D 3D TSV

24486134

Substituted piperidines as HDM2 inhibitors.

Bioorg Med Chem Lett 24: 1026-30 (2014)

Merck Research Laboratories

2D 3D TSV

24486132

IV. Discovery of CXCR3 antagonists substituted with heterocycles as amide surrogates: improved PK, hERG and metabolic profiles.

Bioorg Med Chem Lett 24: 1085-8 (2014)

Merck Research Laboratories

2D 3D TSV

24486131

Synthesis and receptor binding studies of some new arylcarboxamide derivatives as sigma-1 ligands.

Bioorg Med Chem Lett 24: 1021-5 (2014)

University of Trieste

2D 3D TSV

24485123

Discovery of novel 6,7-disubstituted-4-phenoxyquinoline derivatives bearing 5-(aminomethylene)pyrimidine-2,4,6-trione moiety as c-Met kinase inhibitors.

Bioorg Med Chem 22: 1236-49 (2014)

Shenyang Pharmaceutical University

2D 3D TSV

24485122

Synthesis of aminoalkyl-substituted coumarin derivatives as acetylcholinesterase inhibitors.

Bioorg Med Chem 22: 1262-7 (2014)

Kyung Hee University

2D 3D TSV

24485121

A perylene derivative regulates HIF-1a and Stat3 signaling pathways.

Bioorg Med Chem 22: 1496-505 (2014)

Baylor College of Medicine

2D 3D TSV

24484240

Activation and inhibition of thermosensitive TRP channels by voacangine, an alkaloid present in Voacanga africana, an African tree.

J Nat Prod 77: 285-97 (2014)

University of Shizuoka

2D 3D TSV

24482730

Rational Design of Novel Pyridinol-Fused Ring Acetaminophen Analogues.

ACS Med Chem Lett 4: 710-714 (2013)

Vanderbilt University

2D 3D TSV

24480359

Semi-synthesis of acylated triterpenes from olive-oil industry wastes for the development of anticancer and anti-HIV agents.

Eur J Med Chem 74: 278-301 (2014)

Universidad de Granada

2D 3D TSV

24479418

Cytotoxic and protein kinase inhibiting nakijiquinones and nakijiquinols from the sponge Dactylospongia metachromia.

J Nat Prod 77: 218-26 (2014)

Heinrich Heine Universit£t

2D 3D TSV

24476493

Study of the structural and dynamic effects in the FimH adhesin upona-d-heptyl mannose binding.

J Med Chem 57: 1416-27 (2014)

Vrije Universiteit Brussel

2D 3D TSV

24472039

Simplified 2-aminoquinoline-based scaffold for potent and selective neuronal nitric oxide synthase inhibition.

J Med Chem 57: 1513-30 (2014)

Northwestern University

2D 3D TSV

24472025

High-affinity small-molecule inhibitors of the menin-mixed lineage leukemia (MLL) interaction closely mimic a natural protein-protein interaction.

J Med Chem 57: 1543-56 (2014)

University of Michigan

2D 3D TSV

24471976

Structural modifications of neuroprotective anti-Parkinsonian (-)-N6-(2-(4-(biphenyl-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine (D-264): an effort toward the improvement of in vivo efficacy of the parent molecule.

J Med Chem 57: 1557-72 (2014)

Wayne State University

2D 3D TSV

24471873

Discovery of (E)-3-((styrylsulfonyl)methyl)pyridine and (E)-2-((styrylsulfonyl)methyl)pyridine derivatives as anticancer agents: synthesis, structure-activity relationships, and biological activities.

J Med Chem 57: 2275-91 (2014)

University of South Australia

2D 3D TSV

24471857

Euodenine A: a small-molecule agonist of human TLR4.

J Med Chem 57: 1252-75 (2014)

Griffith University

2D 3D TSV

24471816

Bicyclic 1-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxamide-containing HIV-1 integrase inhibitors having high antiviral potency against cells harboring raltegravir-resistant integrase mutants.

J Med Chem 57: 1573-82 (2014)

National Cancer Institute-Frederick

2D 3D TSV

24471650

Novel inhibitors of human DOPA decarboxylase extracted from Euonymus glabra Roxb.

ACS Chem Biol 9: 897-903 (2014)

Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology

2D 3D TSV

24471526

Indoloditerpenes from a marine-derived fungal strain of Dichotomomyces cejpii with antagonistic activity at GPR18 and cannabinoid receptors.

J Nat Prod 77: 673-7 (2014)

University of Bonn

2D 3D TSV

24471493

Octulosonic acid derivatives from Roman chamomile (Chamaemelum nobile) with activities against inflammation and metabolic disorder.

J Nat Prod 77: 509-15 (2014)

University of Mississippi

2D 3D TSV

24471437

Synthesis, structure-activity relationships and brain uptake of a novel series of benzopyran inhibitors of insulin-regulated aminopeptidase.

J Med Chem 57: 1368-77 (2014)

Monash Institute of Pharmaceutical Sciences

2D 3D TSV

24471412

Importance of sphingosine kinase (SphK) as a target in developing cancer therapeutics and recent developments in the synthesis of novel SphK inhibitors.

J Med Chem 57: 5509-24 (2014)

Penn State Hershey Cancer Institute

2D 3D TSV

24470841

Discovery of potent and selective inhibitors of

ACS Med Chem Lett 4: 1148-1151 (2013)

Duquesne University

2D 3D TSV

24469112

Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: synthesis, antitumor testing and molecular modeling study.

Eur J Med Chem 74: 234-45 (2014)

Future University

2D 3D TSV

24468632

Synthesis and biological evaluation of benzo[4,5]imidazo[1,2-c]pyrimidine and benzo[4,5]imidazo[1,2-a]pyrazine derivatives as anaplastic lymphoma kinase inhibitors.

Bioorg Med Chem 22: 1303-12 (2014)

Universit£ de Lyon

2D 3D TSV

24466406

Bridged tetrahydroisoquinolines as selective NADPH oxidase 2 (Nox2) inhibitors.

Medchemcomm 4: 1085-1092 (2013)

University of Pittsburgh

2D 3D TSV

24466405

The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.

Medchemcomm 4: 1501-1507 (2013)

University of North Carolina

2D 3D TSV

213

24463645

Synthesis, structure-activity relationship of iodinated-4-aryloxymethyl-coumarins as potential anti-cancer and anti-mycobacterial agents.

Eur J Med Chem 74: 225-33 (2014)

P.C. Jabin Science College

2D 3D TSV

24462667

New class of azaheptapyridine FPT inhibitors as potential cancer therapy agents.

Bioorg Med Chem Lett 24: 1228-31 (2014)

Merck Research Laboratories

2D 3D TSV

24462666

Discovery of 6-aryl-azabenzimidaoles that inhibit the TBK1/IKK-e kinases.

Bioorg Med Chem Lett 24: 1138-43 (2014)

AstraZeneca

2D 3D TSV

Discovery of novel indazole derivatives as dual angiotensin II antagonists and partial PPAR� agonists.

24462665

Bioorg Med Chem Lett 24: 1098-103 (2014)

GlaxoSmithKline

2D 3D TSV

24462664

Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 2: development of a [3.3.0]-based series and other piperidine bioisosteres.

Bioorg Med Chem Lett 24: 1062-6 (2014)

Vanderbilt University Medical Center

2D 3D TSV

24462176

Identification of dihydrostilbenes in Pholidota chinensis as a new scaffold for GABAA receptor modulators.

Bioorg Med Chem 22: 1276-84 (2014)

University of Basel

2D 3D TSV

24461562

Synthesis of a C-phosphonate mimic of maltose-1-phosphate and inhibition studies on Mycobacterium tuberculosis GlgE.

Bioorg Med Chem 22: 1404-11 (2014)

The University of Toledo

2D 3D TSV

24461561

Ionic liquid mediated synthesis of mono- and bis-spirooxindole-hexahydropyrrolidines as cholinesterase inhibitors and their molecular docking studies.

Bioorg Med Chem 22: 1318-28 (2014)

Universiti Sains Malaysia

2D 3D TSV

24461494

Synthesis and biological evaluation of a new series of ebselen derivatives as glutathione peroxidase (GPx) mimics and cholinesterase inhibitors against Alzheimer's disease.

Bioorg Med Chem 22: 1355-61 (2014)

Sun Yat-sen University

2D 3D TSV

24461353

Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs.

Bioorg Med Chem Lett 24: 1071-4 (2014)

Hyogo University of Health Science

2D 3D TSV

24461352

Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 1: development of a potent and CNS penetrant [3.1.0]-based lead.

Bioorg Med Chem Lett 24: 1067-70 (2014)

Vanderbilt University Medical Center

2D 3D TSV

24461299

Anilino-monoindolylmaleimides as potent and selective JAK3 inhibitors.

Bioorg Med Chem Lett 24: 1116-21 (2014)

Fox Chase Chemical Diversity Center Inc

2D 3D TSV

24461298

Anion inhibition studies of two new ?-carbonic anhydrases from the bacterial pathogen Legionella pneumophila.

Bioorg Med Chem Lett 24: 1127-32 (2014)

Kochi Medical School

2D 3D TSV

24461297

Rat intestinal sucrase inhibition of constituents from the roots of Rosa rugosa Thunb.

Bioorg Med Chem Lett 24: 1192-6 (2014)

Chungnam National University

2D 3D TSV

24461292

Heterocyclic core analogs of a direct thrombin inhibitor.

Bioorg Med Chem Lett 24: 1111-5 (2014)

Merck Research Laboratories

2D 3D TSV

24461289

Benzimidazole CB2 agonists: design, synthesis and SAR.

Bioorg Med Chem Lett 24: 1218-21 (2014)

Merck Research Laboratories

2D 3D TSV

24457265

Novel lung adenocarcinoma and nuclear factor-kappa B (NF-�B) inhibitors: synthesis and evaluation of lantadene congeners.

Eur J Med Chem 74: 135-44 (2014)

Jaypee University of Information Technology

2D 3D TSV

24457093

Inhibition of I�B kinase-� and I�B kinase-a by heterocyclic adamantyl arotinoids.

Bioorg Med Chem 22: 1285-302 (2014)

Universidade de Vigo

2D 3D TSV

24457091

Degrasyn-like symmetrical compounds: possible therapeutic agents for multiple myeloma (MM-I).

Bioorg Med Chem 22: 1450-8 (2014)

The University of Texas M.D. Anderson Cancer Center

2D 3D TSV

24457090

Synthesis and biological evaluation of all eight stereoisomers of DPP-IV inhibitor saxagliptin.

Bioorg Med Chem 22: 1383-93 (2014)

China Pharmaceutical University

2D 3D TSV

24457088

Design and synthesis of N?-aryl-benzimidazoles 2-substituted as novel HIV-1 non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem 22: 1459-67 (2014)

Universit£ di Messina

2D 3D TSV

24456902

Synthesis and biological evaluation of novel pazopanib derivatives as antitumor agents.

Bioorg Med Chem Lett 24: 1108-10 (2014)

Tianjin University

2D 3D TSV

24456578

Isochromans and ?-pyrones from Penicillium corylophilum.

J Nat Prod 77: 206-12 (2014)

Carleton University

2D 3D TSV

24456490

Synthesis and anti-renal fibrosis activity of conformationally locked truncated 2-hexynyl-N(6)-substituted-(N)-methanocarba-nucleosides as A3 adenosine receptor antagonists and partial agonists.

J Med Chem 57: 1344-54 (2014)

Seoul National University

2D 3D TSV

24456472

Discovery of AMG 232, a potent, selective, and orally bioavailable MDM2-p53 inhibitor in clinical development.

J Med Chem 57: 1454-72 (2014)

Amgen Inc

2D 3D TSV

24456369

Drug design targeting protein-protein interactions (PPIs) using multiple ligand simultaneous docking (MLSD) and drug repositioning: discovery of raloxifene and bazedoxifene as novel inhibitors of IL-6/GP130 interface.

J Med Chem 57: 632-41 (2014)

The Ohio State University

2D 3D TSV

24456288

De-novo designed library of benzoylureas as inhibitors of BCL-XL: synthesis, structural and biochemical characterization.

J Med Chem 57: 1323-43 (2014)

The Walter and Eliza Hall Institute of Medical Research

2D 3D TSV

24456245

Design, synthesis, and biological evaluation of deuterated C-aryl glycoside as a potent and long-acting renal sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes.

J Med Chem 57: 1236-51 (2014)

Fudan University

2D 3D TSV

24456116

Design, synthesis, and characterization ofa-ketoheterocycles that additionally target the cytosolic port Cys269 of fatty acid amide hydrolase.

J Med Chem 57: 1079-89 (2014)

The Scripps Research Institute

2D 3D TSV

Discovery of?2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.

24454993

ACS Med Chem Lett 4: 1005-1010 (2013)

University of Dundee

2D 3D TSV

24450589

Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA.

J Med Chem 57: 1276-88 (2014)

GlaxoSmithKline

2D 3D TSV

24447850

Discovery of substituted lactams as novel dual orexin receptor antagonists. Synthesis, preliminary structure-activity relationship studies and efforts towards improved metabolic stability and pharmacokinetic properties. Part 1.

Bioorg Med Chem Lett 24: 1201-8 (2014)

Actelion Pharmaceuticals Ltd

2D 3D TSV

122

24447275

Potent and selective double-headed thiophene-2-carboximidamide inhibitors of neuronal nitric oxide synthase for the treatment of melanoma.

J Med Chem 57: 686-700 (2014)

Northwestern University

2D 3D TSV

24447248

Structure-based optimization of tyrosine kinase inhibitor CLM3. Design, synthesis, functional evaluation, and molecular modeling studies.

J Med Chem 57: 1225-35 (2014)

Universit£ di Pisa

2D 3D TSV

24446728

Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.

J Med Chem 57: 849-60 (2014)

Eli Lilly and Company

2D 3D TSV

24446664

2,4-Diaminothienopyrimidines as orally active antimalarial agents.

J Med Chem 57: 1014-22 (2014)

University of Cape Town

2D 3D TSV

24445311

Benzofuran derivatives as a novel class of inhibitors of mTOR signaling.

Eur J Med Chem 74: 41-9 (2014)

CNRS/Universit£ de Strasbourg

2D 3D TSV

24445310

Design, synthesis, biological evaluation, and comparative docking study of 1,2,4-triazolones as CB1 receptor selective antagonists.

Eur J Med Chem 74: 73-84 (2014)

Zhejiang University

2D 3D TSV

24444054

Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.

J Med Chem 57: 714-22 (2014)

Indiana University School of Medicine

2D 3D TSV

24443569

The different inhibition mechanisms of OXA-1 and OXA-24 �-lactamases are determined by the stability of active site carboxylated lysine.

J Biol Chem 289: 6152-64 (2014)

Case Western Reserve University

2D 3D TSV

24440480

Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation.

Bioorg Med Chem 22: 1362-9 (2014)

The Scripps Research Institute-Florida

2D 3D TSV

24440479

Discovery of N-(3-((7H-purin-6-yl)thio)-4-hydroxynaphthalen-1-yl)-sulfonamide derivatives as novel protein kinase and angiogenesis inhibitors for the treatment of cancer: Synthesis and biological evaluation. Part III.

Bioorg Med Chem 22: 1487-95 (2014)

Shandong University

2D 3D TSV

24440478

Design, synthesis, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase inhibitors.

Bioorg Med Chem 22: 1468-78 (2014)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

24440379

Substituted 4-phenyl-2-aminoimidazoles and 4-phenyl-4,5-dihydro-2-aminoimidazoles as voltage-gated sodium channel modulators.

Eur J Med Chem 74: 23-30 (2014)

University of Ljubljana

2D 3D TSV

179

24440378

N-(3-Arylaminopyridin-4-yl)alkanesulfonamides as pyridine analogs of nimesulide: cyclooxygenases inhibition, anti-inflammatory studies and insight on metabolism.

Eur J Med Chem 74: 12-22 (2014)

University of Li£ge

2D 3D TSV

24440299

Discovery and optimization of 5-(2-((1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)oxy)pyridin-4-yl)-1,2,4-oxadiazoles as novel gpr119 agonists.

Bioorg Med Chem Lett 24: 1133-7 (2014)

Amgen Inc

2D 3D TSV

24440298

Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate synthase-dihydrofolate reductase.

Bioorg Med Chem Lett 24: 1232-5 (2014)

Yale University

2D 3D TSV

24439847

Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.

Bioorg Med Chem Lett 24: 731-6 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24437735

Design, synthesis, and evaluation of conformationally restricted acetanilides as potent and selective�3 adrenergic receptor agonists for the treatment of overactive bladder.

J Med Chem 57: 1437-53 (2014)

Merck and Co.

2D 3D TSV

24436777

Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?

ACS Med Chem Lett 5: 23-28 (2014)

University of Cambridge

2D 3D TSV

24433964

Structure-activity relationships of substituted oxyoxalamides as inhibitors of the human soluble epoxide hydrolase.

Bioorg Med Chem 22: 1163-75 (2014)

Ehime University

2D 3D TSV

24433863

Heteroarylureas with spirocyclic diamine cores as inhibitors of fatty acid amide hydrolase.

Bioorg Med Chem Lett 24: 737-41 (2014)

Janssen Research and Development LLC

2D 3D TSV

24433862

Discovery of MK-7655, a�-lactamase inhibitor for combination with Primaxin�.

Bioorg Med Chem Lett 24: 780-5 (2014)

Merck Research Labs

2D 3D TSV

24433860

Identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors.

Bioorg Med Chem Lett 24: 790-3 (2014)

PKUCare Pharmaceutical R & D Center

2D 3D TSV

24433859

Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).

Bioorg Med Chem Lett 24: 954-62 (2014)

Genentech

2D 3D TSV

24432909

Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib.

J Med Chem 57: 1170-87 (2014)

Pfizer Inc

2D 3D TSV

24432870

Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.

J Med Chem 57: 1033-45 (2014)

Genentech

2D 3D TSV

24432385

Sulfur incorporation generally improves Ricin inhibition in pterin-appended glycine-phenylalanine dipeptide mimics.

Bioorg Med Chem Lett 23: 6799-804 (2014)

TBA

2D 3D TSV

24432384

Tissue transglutaminase: an emerging target for therapy and imaging.

Bioorg Med Chem Lett 23: 6528-43 (2014)

TBA

2D 3D TSV

24428686

Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2'-fluoro-3'-(substituted pyridinyl)-7-deschloroepibatidine analogues.

J Med Chem 57: 836-48 (2014)

Research Triangle Institute

2D 3D TSV

24428639

Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines.

J Med Chem 57: 651-68 (2014)

Trius Therapeutics Inc

2D 3D TSV

24428186

Design, synthesis, and pharmacological evaluation of a novel series of pyridopyrazine-1,6-dione�-secretase modulators.

J Med Chem 57: 1046-62 (2014)

Pfizer Inc

2D 3D TSV

24424304

Recent progress in the identification of BRAF inhibitors as anti-cancer agents.

Eur J Med Chem 72: 170-205 (2014)

Cairo University

2D 3D TSV

24424134

Diphenylpyridylethanamine (DPPE)-based aminoheterocycles as cholesteryl ester transfer protein inhibitors.

Bioorg Med Chem Lett 24: 860-4 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24422550

Optimization of brain penetrant 11�-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice.

J Med Chem 57: 970-86 (2014)

AstraZeneca

2D 3D TSV

Development of novel potent orally bioavailable oseltamivir derivatives active against resistant influenza A.

24422530

J Med Chem 57: 759-69 (2014)

Christian-Albrechts University of Kiel

2D 3D TSV

24422519

Aldosterone synthase inhibitors as promising treatments for mineralocorticoid dependent cardiovascular and renal diseases.

J Med Chem 57: 5011-22 (2014)

Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

2D 3D TSV

24418776

Inhibition of reverse transcriptase and Taq DNA polymerase by compounds possessing the coumarin framework.

Bioorg Med Chem Lett 24: 760-4 (2014)

INTEQUI-CONICET

2D 3D TSV

24418775

A biochemical screen for GroEL/GroES inhibitors.

Bioorg Med Chem Lett 24: 786-9 (2014)

Indiana University

2D 3D TSV

24418773

Design, synthesis, and SAR of a series of activated protein C (APC) inhibitors with selectivity against thrombin for the treatment of haemophilia.

Bioorg Med Chem Lett 24: 821-7 (2014)

AstraZeneca

2D 3D TSV

24417609

Direct interaction of garcinol and related polyisoprenylated benzophenones of Garcinia cambogia fruits with the transcription factor STAT-1 as a likely mechanism of their inhibitory effect on cytokine signaling pathways.

J Nat Prod 77: 543-9 (2014)

Universit£ degli Studi di Salerno

2D 3D TSV

24417566

Discovery of 8-cyclopentyl-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonitrile (7x) as a potent inhibitor of cyclin-dependent kinase 4 (CDK4) and AMPK-related kinase 5 (ARK5).

J Med Chem 57: 578-99 (2014)

Icahn School of Medicine at Mount Sinai

2D 3D TSV

24417533

Discovery and development of Janus kinase (JAK) inhibitors for inflammatory diseases.

J Med Chem 57: 5023-38 (2014)

Pfizer Inc

2D 3D TSV

24417449

Rapid identification of Keap1-Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search.

J Med Chem 57: 1121-6 (2014)

University of Minnesota

2D 3D TSV

24412498

Synthesis and assay of retro-a4�1 integrin-targeting motifs.

Eur J Med Chem 73: 225-32 (2014)

University of Bologna

2D 3D TSV

24412340

Synthesis, biological evaluation and molecular docking studies of benzyloxyacetohydroxamic acids as LpxC inhibitors.

Bioorg Med Chem 22: 1016-28 (2014)

Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

2D 3D TSV

24412339

Inhibition of tyrosinase activity by polyphenol compounds from Flemingia philippinensis roots.

Bioorg Med Chem 22: 1115-20 (2014)

Gyeongsang National University

2D 3D TSV

24412111

Discovery of novel chiral diazepines as bombesin receptor subtype-3 (BRS-3) agonists with low brain penetration.

Bioorg Med Chem Lett 24: 750-5 (2014)

Daiichi Sankyo Co., Ltd

2D 3D TSV

24412109

Successful reduction of off-target hERG toxicity by structural modification of a T-type calcium channel blocker.

Bioorg Med Chem Lett 24: 880-3 (2014)

The Catholic University of Korea

2D 3D TSV

24412072

Structure-activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers. Part II: P2/P3 region and discovery of cobicistat (GS-9350).

Bioorg Med Chem Lett 24: 995-9 (2014)

Gilead Sciences Inc

2D 3D TSV

24412070

Identification of a selective inhibitor of murine intestinal alkaline phosphatase (ML260) by concurrent ultra-high throughput screening against human and mouse isozymes.

Bioorg Med Chem Lett 24: 1000-4 (2014)

Sanford-Burnham Medical Research Institute

2D 3D TSV

167

24412069

Identification of the 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine derivatives as highly selective PDE4B inhibitors.

Bioorg Med Chem Lett 24: 893-9 (2014)

Kyushu University

2D 3D TSV

24412068

Structure-activity relationships of N-substituted 4-(trifluoromethoxy)benzamidines with affinity for GluN2B-containing NMDA receptors.

Bioorg Med Chem Lett 24: 828-30 (2014)

The University of Sydney

2D 3D TSV

24412066

Discovery of pyrazolo[3,4-d]pyrimidine derivatives as GPR119 agonists.

Bioorg Med Chem Lett 24: 949-53 (2014)

Hoffmann-La Roche Inc

2D 3D TSV

24411477

Carbamazepine derivatives with P2X4 receptor-blocking activity.

Bioorg Med Chem 22: 1077-88 (2014)

University of Bonn

2D 3D TSV

24411201

Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-�-hydroxysteroid dehydrogenase (AKR1C3).

Bioorg Med Chem 22: 967-77 (2014)

University of Auckland

2D 3D TSV

150

24411199

Formosusin A, a novel specific inhibitor of mammalian DNA polymerase� from the fungus Paecilomyces formosus.

Bioorg Med Chem 22: 1070-6 (2014)

Kobe Gakuin University

2D 3D TSV

24411198

Synthesis and biological evaluation of novel oxadiazole derivatives: a new class of thymidine phosphorylase inhibitors as potential anti-tumor agents.

Bioorg Med Chem 22: 1008-15 (2014)

Institute of Information Technology

2D 3D TSV

24411196

Synthesis, modelling and biological characterization of 3-substituted-1H-indoles as ligands of GluN2B-containing N-methyl-d-aspartate receptors.

Bioorg Med Chem 22: 1040-8 (2014)

Universit£ di Messina

2D 3D TSV

24411125

Structure-activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers, part I: core region.

Bioorg Med Chem Lett 24: 989-94 (2014)

Gilead Sciences Inc

2D 3D TSV

24411123

Synthesis and biological evaluation of novel tricyclic oxazine and oxazepine fused quinazolines. Part 1: erlotinib analogs.

Bioorg Med Chem Lett 24: 884-7 (2014)

Jiangsu Aosaikang Pharmaceutical Co. Ltd

2D 3D TSV

24410637

Discovery of spirofused piperazine and diazepane amides as selective histamine-3 antagonists with in vivo efficacy in a mouse model of cognition.

J Med Chem 57: 733-58 (2014)

AstraZeneca

2D 3D TSV

24406103

Effects of novel diarylpentanoid analogues of curcumin on secretory phospholipase A2 , cyclooxygenases, lipo-oxygenase, and microsomal prostaglandin E synthase-1.

Chem Biol Drug Des 83: 670-81 (2014)

Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

2D 3D TSV

24405707

Identification of potent CNS-penetrant thiazolidinones as novel CGRP receptor antagonists.

Bioorg Med Chem Lett 24: 845-9 (2014)

Vertex Pharmaceuticals Inc

2D 3D TSV

100

24405703

4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable stearoyl-CoA desaturase-1 (SCD1) inhibitors: part 2. Pyridazine-based analogs.

Bioorg Med Chem Lett 24: 1437-41 (2014)

Janssen Research and Development LLC

2D 3D TSV

24405701

Thiazolopyridone ureas as DNA gyrase B inhibitors: optimization of antitubercular activity and efficacy.

Bioorg Med Chem Lett 24: 870-9 (2014)

AstraZeneca

2D 3D TSV

24405419

Fragment-based identification of amides derived from trans-2-(pyridin-3-yl)cyclopropanecarboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).

J Med Chem 57: 770-92 (2014)

Genentech

2D 3D TSV

24405391

Mutagenesis studies of the 14 � internal cavity of histone deacetylase 1: insights toward the acetate-escape hypothesis and selective inhibitor design.

J Med Chem 57: 642-50 (2014)

Wayne State University

2D 3D TSV

24405333

Tetrahydroquinoline derivatives as potent and selective factor XIa inhibitors.

J Med Chem 57: 955-69 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24405213

Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.

J Med Chem 57: 325-38 (2014)

Amgen Inc

2D 3D TSV

24405172

Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 1. Discovery of a novel tool compound for in vivo proof-of-concept.

J Med Chem 57: 309-24 (2014)

Amgen Inc

2D 3D TSV

24403173

Long residence times revealed by Aurora A kinase-targeting fluorescent probes derived from inhibitors MLN8237 and VX-689.

Chembiochem 15: 443-50 (2014)

University of Tartu, Ravila 14A, 50411 Tartu (Estonia)

2D 3D TSV

24400806

Novel class of benzoic acid ester derivatives as potent PDE4 inhibitors for inhaled administration in the treatment of respiratory diseases.

J Med Chem 57: 793-816 (2014)

Chiesi Farmaceutici S.p.A.

2D 3D TSV

Synthesis of novel indenoquinoxaline derivatives as potenta-glucosidase inhibitors.

24398385

Bioorg Med Chem 22: 1195-200 (2014)

University of the Punjab

2D 3D TSV

24398383

7-Azaindole-1-carboxamides as a new class of PARP-1 inhibitors.

Bioorg Med Chem 22: 1089-103 (2014)

Universit£ di Milano

2D 3D TSV

24398382

Linear propargylic alcohol functionality attached to the indazole-7-carboxamide as a JAK1-specific linear probe group.

Bioorg Med Chem 22: 1156-62 (2014)

Konkuk University

2D 3D TSV

24398380

Targeting the Warburg Effect in cancer; relationships for 2-arylpyridazinones as inhibitors of the key glycolytic enzyme 6-phosphofructo-2-kinase/2,6-bisphosphatase 3 (PFKFB3).

Bioorg Med Chem 22: 1029-39 (2014)

University of Auckland

2D 3D TSV

24398298

The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target.

Bioorg Med Chem Lett 24: 911-6 (2014)

University of Leeds

2D 3D TSV

24397738

Discovery of 7-tetrahydropyran-2-yl chromans:�-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid�-protein (A�) in the central nervous system.

J Med Chem 57: 878-902 (2014)

Array BioPharma

2D 3D TSV

24397558

Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase.

J Med Chem 57: 1855-79 (2014)

Bristol-Myers Squibb Research and Development

2D 3D TSV

24396570

Novel sphingosine-containing analogues selectively inhibit sphingosine kinase (SK) isozymes, induce SK1 proteasomal degradation and reduce DNA synthesis in human pulmonary arterial smooth muscle cells.

Medchemcomm 4: (2013)

The City University of New York

2D 3D TSV

24393810

A novel series of 6-substituted 3-(pyrrolidin-1-ylmethyl)chromen-2-ones as selective monoamine oxidase (MAO) A inhibitors.

Eur J Med Chem 73: 177-86 (2014)

NeuroSearch Sweden AB

2D 3D TSV

24393583

Danshen diversity defeating dementia.

Bioorg Med Chem Lett 24: 708-16 (2014)

RMIT University

2D 3D TSV

24393580

Virtual screening and biochemical evaluation to identify new inhibitors of mammalian target of rapamycin (mTOR).

Bioorg Med Chem Lett 24: 835-8 (2014)

Sejong University

2D 3D TSV

24393039

Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase.

J Med Chem 57: 495-506 (2014)

National Institutes of Health

2D 3D TSV

24392688

Discovery and preclinical characterization of 1-methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): a highly potent, selective, and efficacious metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator.

J Med Chem 57: 861-77 (2014)

Pfizer Inc

2D 3D TSV

24389511

Structure-based design, synthesis and biological evaluation of diphenylmethylamine derivatives as novel Akt1 inhibitors.

Eur J Med Chem 73: 167-76 (2014)

Zhejiang University

2D 3D TSV

24389509

1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies.

Eur J Med Chem 73: 141-52 (2014)

Universitat de Barcelona

2D 3D TSV

24388993

Discovery of novel N-(5-(arylcarbonyl)thiazol-2-yl)amides and N-(5-(arylcarbonyl)thiophen-2-yl)amides as potent ROR�t inhibitors.

Bioorg Med Chem 22: 692-702 (2014)

GlaxoSmithKline

2D 3D TSV

24388834

Insights on pregnane-X-receptor modulation. Natural and semisynthetic steroids from Theonella marine sponges.

Eur J Med Chem 73: 126-34 (2014)

Universit£ di Napoli"Federico II"

2D 3D TSV

24388807

Microwave assisted synthesis of naphthopyrans catalysed by silica supported fluoroboric acid as a new class of non purine xanthine oxidase inhibitors.

Bioorg Med Chem Lett 24: 495-500 (2014)

Guru Nanak Dev University

2D 3D TSV

24388805

New natural products as new leads for antibacterial drug discovery.

Bioorg Med Chem Lett 24: 413-8 (2014)

AstraZeneca

2D 3D TSV

24388690

Novel PARP-1 inhibitors based on a 2-propanoyl-3H-quinazolin-4-one scaffold.

Bioorg Med Chem Lett 24: 462-6 (2014)

R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

2D 3D TSV

24388688

Synthesis and evaluation of isoleucine derived angiotensin II AT(2) receptor ligands.

Bioorg Med Chem Lett 24: 476-9 (2014)

Uppsala University

2D 3D TSV

24387981

Synthesis and evaluation of novel benzimidazole derivatives as sirtuin inhibitors with antitumor activities.

Bioorg Med Chem 22: 703-10 (2014)

Universiti Sains Malaysia

2D 3D TSV

24387325

Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.

J Med Chem 57: 937-54 (2014)

Istituto Italiano di Tecnologia

2D 3D TSV

24387280

Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain.

J Med Chem 57: 669-76 (2014)

The Scripps Research Institute

2D 3D TSV

24387243

Discovery of a new binding site on human choline kinasea1: design, synthesis, crystallographic studies, and biological evaluation of asymmetrical bispyridinium derivatives.

J Med Chem 57: 507-15 (2014)

Universidad de Granada

2D 3D TSV

24387221

Discovery and optimization of pyrimidone indoline amide PI3K� inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers.

J Med Chem 57: 903-20 (2014)

Sanofi

2D 3D TSV

150

24387159

Selective non-nucleoside inhibitors of human DNA methyltransferases active in cancer including in cancer stem cells.

J Med Chem 57: 701-13 (2014)

Sapienza University of Rome

2D 3D TSV

24387105

Selective ALDH3A1 inhibition by benzimidazole analogues increase mafosfamide sensitivity in cancer cells.

J Med Chem 57: 449-61 (2014)

Indiana University School of Medicine

2D 3D TSV

24384549

Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold.

Eur J Med Chem 73: 83-96 (2014)

University of Ljubljana

2D 3D TSV

24383475

Structure-activity relationship analysis of imidazoquinolines with Toll-like receptors 7 and 8 selectivity and enhanced cytokine induction.

J Med Chem 57: 339-47 (2014)

University of Minnesota

2D 3D TSV

24379401

A novel sirtuin 2 (SIRT2) inhibitor with p53-dependent pro-apoptotic activity in non-small cell lung cancer.

J Biol Chem 289: 5208-16 (2014)

Universit�t Duisburg-Essen

2D 3D TSV

24378711

Specific features of HIV-1 integrase inhibition by bisphosphonate derivatives.

Eur J Med Chem 73: 73-82 (2014)

Lomonosov Moscow State University

2D 3D TSV

24378710

Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease.

Eur J Med Chem 73: 56-72 (2014)

Instituto de Qu£mica M£dica (CSIC)

2D 3D TSV

24378707

[DOTA]Somatostatin-14 analogs and their (111)In-radioligands: effects of decreasing ring-size on sst1-5 profile, stability and tumor targeting.

Eur J Med Chem 73: 30-7 (2014)

INRASTES

2D 3D TSV

24376907

Discovery of Inhibitors of

ACS Med Chem Lett 4: (2013)

Northern Illinois University

2D 3D TSV

24374347

Identification of small molecule sphingomyelin synthase inhibitors.

Eur J Med Chem 73: 1-7 (2014)

Fudan University

2D 3D TSV

24374277

Design and synthesis of potential dual NK(1)/NK(3) receptor antagonists.

Bioorg Med Chem Lett 24: 510-4 (2014)

Universit£ de Montr£al

2D 3D TSV

24374272

Systematic evaluation of amide bioisosteres leading to the discovery of novel and potent thiazolylimidazolidinone inhibitors of SCD1 for the treatment of metabolic diseases.

Bioorg Med Chem Lett 24: 520-5 (2014)

Xenon Pharmaceuticals Inc

2D 3D TSV

24374271

Bifunctional thiosialosides inhibit influenza virus.

Bioorg Med Chem Lett 24: 636-43 (2014)

Georgia State University

2D 3D TSV

24373842

Structurally diverse low molecular weight activators of the mammalian pre-mRNA 3' cleavage reaction.

Bioorg Med Chem 22: 834-41 (2014)

The City University of New York

2D 3D TSV

24373735

Enhancing the pharmacodynamic profile of a class of selective COX-2 inhibiting nitric oxide donors.

Bioorg Med Chem 22: 772-86 (2014)

Universit£ degli Studi di Roma "La Sapienza"

2D 3D TSV

24373724

Discovery of 1-oxa-4,9-diazaspiro[5.5]undecane-based trisubstituted urea derivatives as highly potent soluble epoxide hydrolase inhibitors and orally active drug candidates for treating of chronic kidney diseases.

Bioorg Med Chem Lett 24: 565-70 (2014)

Toray Industries Inc

2D 3D TSV

24370012

Discovery of thiazolylpyridinone SCD1 inhibitors with preferential liver distribution and reduced mechanism-based adverse effects.

Bioorg Med Chem Lett 24: 526-31 (2014)

Xenon Pharmaceuticals Inc

2D 3D TSV

24369842

Cholinesterase inhibitory activity versus aromatic core multiplicity: a facile green synthesis and molecular docking study of novel piperidone embedded thiazolopyrimidines.

Bioorg Med Chem 22: 906-16 (2014)

Universiti Sains Malaysia

2D 3D TSV

24369839

Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors.

Bioorg Med Chem 22: 892-905 (2014)

Chugai Pharmaceutical Co., Ltd

2D 3D TSV

24368209

A development of chimeric VEGFR2 TK inhibitor based on two ligand conformers from PDB: 1Y6A complex--medicinal chemistry consequences of a TKs analysis.

Eur J Med Chem 72: 146-59 (2014)

Comenius University

2D 3D TSV

24368208

Inhibition of LOX by flavonoids: a structure-activity relationship study.

Eur J Med Chem 72: 137-45 (2014)

Universidade do Porto

2D 3D TSV

24368028

Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors.

Bioorg Med Chem 22: 787-95 (2014)

Medical University of Lublin

2D 3D TSV

24367923

Novel S1P(1) receptor agonists--part 3: from thiophenes to pyridines.

J Med Chem 57: 110-30 (2014)

Actelion Pharmaceuticals Ltd.

2D 3D TSV

108

24365162

Ligands of the neuropeptide Y Y2 receptor.

Bioorg Med Chem Lett 24: 430-41 (2014)

The Scripps Research Institute

2D 3D TSV

126

24365161

Synthesis and evaluation of 4-substituted piperidines and piperazines as balanced affinity ? opioid receptor (MOR) agonist/? opioid receptor (DOR) antagonist ligands.

Bioorg Med Chem Lett 24: 548-51 (2014)

University of Michigan

2D 3D TSV

24365159

The synthesis and comparative receptor binding affinities of novel, isomeric pyridoindolobenzazepine scaffolds.

Bioorg Med Chem Lett 24: 576-9 (2014)

University of Missouri

2D 3D TSV

24365158

Synthesis and activity of substituted heteroaromatics as positive allosteric modulators fora4�2a5 nicotinic acetylcholine receptors.

Bioorg Med Chem Lett 24: 674-8 (2014)

The Scripps Research Institute

2D 3D TSV

24364476

The marine cyanobacterial metabolite gallinamide A is a potent and selective inhibitor of human cathepsin L.

J Nat Prod 77: 92-9 (2014)

University of California

2D 3D TSV

24363888

Synthesis and antibacterial evaluation of anziaic acid and analogues as topoisomerase I inhibitors.

Medchemcomm 4: (2013)

University of Hawai'i at Hilo

2D 3D TSV

24363833

Bisubstrate Inhibitors of Biotin Protein Ligase in

ACS Med Chem Lett 4: (2013)

University of Minnesota

2D 3D TSV

24362350

Amino and carboxy functionalized modified nucleosides: a potential class of inhibitors for angiogenin.

Bioorg Chem 52: 56-61 (2014)

SASTRA University, Thanjavur, Tamil Nadu 613401, India

2D 3D TSV

24361187

Synthesis, docking simulation, biological evaluations and 3D-QSAR study of 5-Aryl-6-(4-methylsulfonyl)-3-(metylthio)-1,2,4-triazine as selective cyclooxygenase-2 inhibitors.

Bioorg Med Chem 22: 865-73 (2014)

Mazandaran University of Medical Sciences

2D 3D TSV

24360826

Synthesis/biological evaluation of hydroxamic acids and their prodrugs as inhibitors for Botulinum neurotoxin A light chain.

Bioorg Med Chem 22: 1208-17 (2014)

The Scripps Research Institute

2D 3D TSV

24360824

4,4'-Unsymmetrically substituted 3,3'-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors.

Bioorg Med Chem 22: 917-26 (2014)

Northeastern University

2D 3D TSV

24360604

Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11�-hydroxysteroid dehydrogenase type 1 (11�-HSD1).

Bioorg Med Chem Lett 24: 654-60 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24360562

The effect of chain length and unsaturation on Mtb Dxr inhibition and antitubercular killing activity of FR900098 analogs.

Bioorg Med Chem Lett 24: 649-53 (2014)

George Washington University

2D 3D TSV

24360557

Synthesis and evaluation of curcumin derivatives toward an inhibitor of beta-site amyloid precursor protein cleaving enzyme 1.

Bioorg Med Chem Lett 24: 685-90 (2014)

Yamagata University

2D 3D TSV

24360556

Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors.

Bioorg Med Chem Lett 24: 630-5 (2014)

National Center for Advancing Translational Sciences

2D 3D TSV

24360554

Structure-activity relationship study of BACE1 inhibitors possessing a chelidonic or 2,6-pyridinedicarboxylic scaffold at the P(2) position.

Bioorg Med Chem Lett 24: 618-23 (2014)

Kobe Gakuin University

2D 3D TSV

24359708

Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.

Bioorg Med Chem 22: 178-85 (2013)

University of Alabama at Birmingham

2D 3D TSV

24359706

Second-generation derivatives of the eukaryotic translation initiation inhibitor pateamine A targeting eIF4A as potential anticancer agents.

Bioorg Med Chem 22: 116-25 (2013)

St. John's University

2D 3D TSV

24359257

Optimization of furin inhibitors to protect against the activation of influenza hemagglutinin H5 and Shiga toxin.

J Med Chem 57: 29-41 (2014)

Universit£ de Sherbrooke

2D 3D TSV

24359185

Discovery of a rapidly metabolized, long-acting�(2) adrenergic receptor agonist with a short onset time incorporating a sulfone group suitable for once-daily dosing.

J Med Chem 57: 159-70 (2014)

GlaxoSmithKline

2D 3D TSV

24359159

Discovery of 1-methyl-1H-imidazole derivatives as potent Jak2 inhibitors.

J Med Chem 57: 144-58 (2014)

AstraZeneca

2D 3D TSV

24356970

Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket.

J Biol Chem 289: 4432-43 (2014)

University of Texas Southwestern Medical Center

2D 3D TSV

24355348

4-Thiazolidinones: the advances continue?.

Eur J Med Chem 72: 52-77 (2014)

Institute of Technology

2D 3D TSV

24355130

Identification of quinones as HER2 inhibitors for the treatment of trastuzumab resistant breast cancer.

Bioorg Med Chem Lett 24: 126-31 (2014)

Xavier University of Louisiana

2D 3D TSV

24355129

The identification of AF38469: an orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.

Bioorg Med Chem Lett 24: 177-80 (2013)

H. Lundbeck A/S

2D 3D TSV

24354364

d-Thiolactones as prodrugs of thiol-based glutamate carboxypeptidase II (GCPII) inhibitors.

J Med Chem 57: 243-7 (2014)

Johns Hopkins University

2D 3D TSV

24354345

Discovery of highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors.

J Med Chem 57: 921-36 (2014)

Genentech

2D 3D TSV

24354319

Exploring the determinants of trace amine-associated receptor 1's functional selectivity for the stereoisomers of amphetamine and methamphetamine.

J Med Chem 57: 378-90 (2014)

Oregon Health & Science University

2D 3D TSV

24354316

Substituted 2-phenylimidazopyridines: a new class of drug leads for human African trypanosomiasis.

J Med Chem 57: 828-35 (2014)

University of Washington

2D 3D TSV

24351031

Inhibition of 5-oxo-6,8,11,14-eicosatetraenoic acid-induced activation of neutrophils and eosinophils by novel indole OXE receptor antagonists.

J Med Chem 57: 364-77 (2014)

McGill University

2D 3D TSV

24350995

Design, synthesis, and structure-activity relationship studies of a potent PACE4 inhibitor.

J Med Chem 57: 98-109 (2014)

Universit£ de Sherbrooke

2D 3D TSV

24345481

Investigation of fluorinated and bifunctionalized 3-phenylchroman-4-one (isoflavanone) aromatase inhibitors.

Bioorg Med Chem 22: 126-34 (2013)

Northern Kentucky University

2D 3D TSV

24345448

Azide-alkyne cycloaddition affording enzymatically tunable bisubstrate based inhibitors of histone acetyltransferase PCAF.

Bioorg Med Chem Lett 24: 113-6 (2013)

Utrecht University

2D 3D TSV

24345446

Lactam based 7-amino suberoylamide hydroxamic acids as potent HDAC inhibitors.

Bioorg Med Chem Lett 24: 61-4 (2014)

Universit£ degli Studi di Siena

2D 3D TSV

133

24345273

Design, synthesis, and biological activity of pyridopyrimidine scaffolds as novel PI3K/mTOR dual inhibitors.

J Med Chem 57: 613-31 (2014)

Universit£ d'Orl£ans

2D 3D TSV

111

24345087

Novel S1P(1) receptor agonists--part 2: from bicyclo[3.1.0]hexane-fused thiophenes to isobutyl substituted thiophenes.

J Med Chem 57: 78-97 (2014)

Actelion Pharmaceuticals Ltd.

2D 3D TSV

108

24342240

A tetradecapeptide somatostatin dicarba-analog: Synthesis, structural impact and biological activity.

Bioorg Med Chem Lett 24: 103-7 (2014)

Institute for Research in Biomedicine (IRB Barcelona)

2D 3D TSV

24341381

Design of an amide N-glycoside derivative of ?-glucogallin: a stable, potent, and specific inhibitor of aldose reductase.

J Med Chem 57: 71-7 (2014)

University of Colorado Anschutz Medical Campus

2D 3D TSV

24340169

The Discovery of Novel 10,11-Dihydro-5H-dibenz[b,f]azepine SIRT2 Inhibitors.

Medchemcomm (2012)

Imperial College London

2D 3D TSV

24332658

Inhibition of carbonic anhydrases from the extremophilic bacteria Sulfurihydrogenibium yellostonense (SspCA) and S. azorense (SazCA) with a new series of sulfonamides incorporating aroylhydrazone-, [1,2,4]triazolo[3,4-b][1,3,4]thiadiazinyl- or 2-(cyanophenylmethylene)-1,3,4-thiadiazol-3(2H)-yl moiet

Bioorg Med Chem 22: 141-7 (2014)

Salman bin Abdulaziz University

2D 3D TSV

24332657

Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.

Bioorg Med Chem 22: 167-77 (2014)

University of Illinois at Chicago

2D 3D TSV

24332652

Synthesis and biological evaluation of novel 2-amino-3-aroyl-4-neopentyl-5-substituted thiophene derivatives as allosteric enhancers of the A? adenosine receptor.

Bioorg Med Chem 22: 148-66 (2014)

Universit£ di Ferrara

2D 3D TSV

24332628

Design, synthesis and antibacterial activities of 5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol derivatives containing Schiff base formation as FabH inhibitory.

Bioorg Med Chem Lett 24: 90-5 (2013)

Nanjing University

2D 3D TSV

24332627

Synthesis and biological evaluation of cyclopentyl-triazolol-pyrimidine (CPTP) based P2Y12 antagonists.

Bioorg Med Chem Lett 24: 141-6 (2013)

Shanghai Hengrui Pharmaceutical Co., Ltd

2D 3D TSV

24332624

Replacement of amide with bioisosteres led to a new series of potent adenosine A2A receptor antagonists.

Bioorg Med Chem Lett 24: 152-5 (2014)

Soochow University

2D 3D TSV

24332496

Chemical synthesis and tyrosinase inhibitory activity of rhododendrol glycosides.

Bioorg Med Chem Lett 24: 122-5 (2014)

Tokyo University of Agriculture and Technology

2D 3D TSV

24332494

Synthesis, biological evaluation and SAR of 3-benzoates of ingenol for treatment of actinic keratosis and non-melanoma skin cancer.

Bioorg Med Chem Lett 24: 54-60 (2014)

LEO Pharma A/S

2D 3D TSV

24332493

The discovery of potent, orally bioavailable pyrazolo and triazolopyrimidine CXCR2 receptor antagonists.

Bioorg Med Chem Lett 24: 72-6 (2014)

Novartis Institutes for BioMedical Research

2D 3D TSV

24332492

Rationally designed hybrid molecules with appreciable COX-2 inhibitory and anti-nociceptive activities.

Bioorg Med Chem Lett 24: 77-82 (2014)

Guru Nanak Dev University

2D 3D TSV

24332491

Discovery and optimization of N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamides as novel GPR119 agonists.

Bioorg Med Chem Lett 24: 156-60 (2013)

Amgen Inc

2D 3D TSV

24332488

Correlation between chemotype-dependent binding conformations of HSP90a/� and isoform selectivity-Implications for the structure-based design of HSP90a/� selective inhibitors for treating neurodegenerative diseases.

Bioorg Med Chem Lett 24: 204-8 (2013)

Vertex Pharmaceuticals Inc

2D 3D TSV

24332487

Synthesis and SAR of novel isoxazoles as potent c-jun N-terminal kinase (JNK) inhibitors.

Bioorg Med Chem Lett 24: 161-4 (2014)

The Scripps Research Institute

2D 3D TSV

24332486

Structure activity relationships of fused bicyclic and urea derivatives of spirocyclic compounds as potent CCR1 antagonists.

Bioorg Med Chem Lett 24: 108-12 (2013)

AstraZeneca

2D 3D TSV

24332093

(E)-Alkenes as replacements of amide bonds: development of novel and potent acyclic CGRP receptor antagonists.

Bioorg Med Chem Lett 24: 258-61 (2013)

Merck & Co.

2D 3D TSV

24332092

Synthesis and biological properties of thiazole-analogues of pyochelin, a siderophore of Pseudomonas aeruginosa.

Bioorg Med Chem Lett 24: 132-5 (2013)

University of Strasburg

2D 3D TSV

24332090

Synthesis and biological evaluation of the pirfenidone derivatives as antifibrotic agents.

Bioorg Med Chem Lett 24: 220-3 (2013)

Zhejiang Academy of Medical Sciences

2D 3D TSV

24332089

Imidazole-derived agonists for the neurotensin 1 receptor.

Bioorg Med Chem Lett 24: 262-7 (2013)

Sanford-Burnham Medical Research Institute

2D 3D TSV

24332088

Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.

Bioorg Med Chem Lett 24: 199-203 (2013)

Merck Research Laboratories

2D 3D TSV

24331758

Involvement of apoptosis and autophagy in the death of RPMI 8226 multiple myeloma cells by two enantiomeric sigma receptor ligands.

Bioorg Med Chem 22: 221-33 (2013)

University of Greifswald

2D 3D TSV

24331756

Pyrrolizines: Promising scaffolds for anticancer drugs.

Bioorg Med Chem 22: 46-53 (2013)

Beni-Suef University

2D 3D TSV

24330598

Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors.

Chem Biol Drug Des 83: 592-9 (2014)

Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China

2D 3D TSV

24328302

Protein kinase and HDAC inhibitors from the endophytic fungus Epicoccum nigrum.

J Nat Prod 77: 49-56 (2014)

Heinrich-Heine-Universit£t D£sseldorf

2D 3D TSV

24328113

Synthesis and evaluation of analogues of N-phthaloyl-l-tryptophan (RG108) as inhibitors of DNA methyltransferase 1.

J Med Chem 57: 421-34 (2014)

Universit£ Pierre et Marie Curie-Paris 6

2D 3D TSV

24328103

Discovery of a non-estrogenic irreversible inhibitor of 17?-hydroxysteroid dehydrogenase type 1 from 3-substituted-16?-(m-carbamoylbenzyl)-estradiol derivatives.

J Med Chem 57: 204-22 (2014)

Laval University

2D 3D TSV

24327656

The molecular chaperone Hsp70 activates protein phosphatase 5 (PP5) by binding the tetratricopeptide repeat (TPR) domain.

J Biol Chem 289: 2908-17 (2014)

University of Michigan

2D 3D TSV

24326277

Design, synthesis and biological evaluation of ezrin inhibitors targeting metastatic osteosarcoma.

Bioorg Med Chem 22: 478-87 (2013)

George Mason University

2D 3D TSV

24326276

Comparative molecular field analysis of fenoterol derivatives interacting with an agonist-stabilized form of the ??-adrenergic receptor.

Bioorg Med Chem 22: 234-46 (2014)

Medical University of Lublin

2D 3D TSV

24325601

Pan-histone demethylase inhibitors simultaneously targeting Jumonji C and lysine-specific demethylases display high anticancer activities.

J Med Chem 57: 42-55 (2014)

Sapienza University of Rome

2D 3D TSV

24325578

Synthesis and characterization of a novel series of agonist compounds as potential radiopharmaceuticals for imaging dopamine D2/3 receptors in their high-affinity state.

J Med Chem 57: 391-410 (2014)

University of Amsterdam

2D 3D TSV

24324854

Exploring novel strategies for AIDS protozoal pathogens: ?-helix mimetics targeting a key allosteric protein-protein interaction in

Medchemcomm 4: (2013)

Yale University

2D 3D TSV

24321833

A novel tamoxifen derivative, ridaifen-F, is a nonpeptidic small-molecule proteasome inhibitor.

Eur J Med Chem 71: 290-305 (2014)

Institute of Bio-Science and Technology

2D 3D TSV

24321832

Synthesis and evaluation of the antiparasitic activity of bis-(arylmethylidene) cycloalkanones.

Eur J Med Chem 71: 282-9 (2014)

Universidade Federal de Minas Gerais

2D 3D TSV

24321345

Preparation and evaluation of deconstruction analogues of 7-deoxykalafungin as AKT kinase inhibitors.

Bioorg Med Chem Lett 24: 271-4 (2013)

Virginia Commonwealth University

2D 3D TSV

24321344

Asymmetric synthesis and receptor activity of chiral simplified resiniferatoxin (sRTX) analogues as transient receptor potential vanilloid 1 (TRPV1) ligands.

Bioorg Med Chem Lett 24: 382-5 (2013)

Seoul National University

2D 3D TSV

24320998

Discovery of a novel class of dimeric Smac mimetics as potent IAP antagonists resulting in a clinical candidate for the treatment of cancer (AZD5582).

J Med Chem 56: 9897-919 (2013)

AstraZeneca

2D 3D TSV

24320749

Mechanistic characterization of a 2-thioxanthine myeloperoxidase inhibitor and selectivity assessment utilizing click chemistry--activity-based protein profiling.

Biochemistry 52: 9187-201 (2013)

Pfizer Inc

2D 3D TSV

24316669

Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors.

Eur J Med Chem 71: 259-66 (2014)

Zhejiang University

2D 3D TSV

24316668

Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping.

Eur J Med Chem 71: 250-8 (2014)

Asahi Kasei Pharma Corporation

2D 3D TSV

24316352

Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors.

Bioorg Med Chem 22: 292-302 (2014)

Tianjin University of Science and Technology

2D 3D TSV

24316025

Synthesis and biological evaluation of a series of aminoalkyl-tetralones and tetralols as dual dopamine/serotonin ligands.

Eur J Med Chem 71: 237-49 (2014)

Universidad de Santiago de Compostela

2D 3D TSV

24315194

Flexible and biomimetic analogs of triple uptake inhibitor 4-((((3S,6S)-6-benzhydryltetrahydro-2H-pyran-3-yl)amino)methyl)phenol: Synthesis, biological characterization, and development of a pharmacophore model.

Bioorg Med Chem 22: 311-24 (2013)

Wayne State University

2D 3D TSV

24315192

Biphenyl derivatives incorporating urea unit as novel VEGFR-2 inhibitors: design, synthesis and biological evaluation.

Bioorg Med Chem 22: 277-84 (2014)

Xi'an Jiaotong University

2D 3D TSV

24315190

Probing the human estrogen receptor-? binding requirements for phenolic mono- and di-hydroxyl compounds: a combined synthesis, binding and docking study.

Bioorg Med Chem 22: 303-10 (2014)

Marquette University

2D 3D TSV

24315189

Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase.

Bioorg Med Chem 22: 406-18 (2013)

Purdue University

2D 3D TSV

24314880

Purinergic receptor P2X?: a novel target for anti-inflammatory therapy.

Bioorg Med Chem 22: 54-88 (2014)

Punjabi University

2D 3D TSV

24314397

Inhibition of serine and proline racemases by substrate-product analogues.

Bioorg Med Chem Lett 24: 390-3 (2013)

Dalhousie University

2D 3D TSV

24314394

Sulfonamide inhibition studies of thed-carbonic anhydrase from the diatom Thalassiosira weissflogii.

Bioorg Med Chem Lett 24: 275-9 (2013)

Universit£ degli Studi di Firenze

2D 3D TSV

24313801

Computer-guided approach to access the anti-influenza activity of licorice constituents.

J Nat Prod 77: 563-70 (2014)

University of Innsbruck

2D 3D TSV

24313754

[1,2,4]triazolo[4,3-a]phthalazines: inhibitors of diverse bromodomains.

J Med Chem 57: 462-76 (2014)

University of Oxford

2D 3D TSV

24312699

Analogs of the Allosteric Heat Shock Protein 70 (Hsp70) Inhibitor, MKT-077, as Anti-Cancer Agents.

ACS Med Chem Lett 4: (2013)

University of California San Francisco

2D 3D TSV

24308675

Phenylspirodrimanes with anti-HIV activity from the sponge-derived fungus Stachybotrys chartarum MXH-X73.

J Nat Prod 76: 2298-306 (2013)

Ocean University of China

2D 3D TSV

24308627

Design, synthesis, and biological activity of novel dicoumarol glucagon-like peptide 1 conjugates.

J Med Chem 56: 9955-68 (2013)

China Pharmaceutical University

2D 3D TSV

24304424

Novel pyridazinone inhibitors for vascular adhesion protein-1 (VAP-1): old target-new inhibition mode.

J Med Chem 56: 9837-48 (2013)

£bo Akademi University

2D 3D TSV

24304387

Structure-activity relationships of chromone derivatives toward the mechanism of interaction with and inhibition of breast cancer resistance protein ABCG2.

J Med Chem 56: 9849-60 (2013)

BMSSI UMR 5086 CNRS/Universit£ Lyon 1

2D 3D TSV

24304348

Synthesis and structure-activity relationship of 3-hydroxypyridine-2-thione-based histone deacetylase inhibitors.

J Med Chem 56: 9969-81 (2013)

Georgia Institute of Technology

2D 3D TSV

24304323

Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.

J Med Chem 56: 10183-7 (2013)

University of Cambridge

2D 3D TSV

24304238

8-Substituted O(6)-cyclohexylmethylguanine CDK2 inhibitors: using structure-based inhibitor design to optimize an alternative binding mode.

J Med Chem 57: 56-70 (2014)

University of Oxford

2D 3D TSV

24304219

Structure-activity relationship of adenosine 5'-diphosphoribose at the transient receptor potential melastatin 2 (TRPM2) channel: rational design of antagonists.

J Med Chem 56: 10079-102 (2013)

University of Bath

2D 3D TSV

24304150

Two analogues of fenarimol show curative activity in an experimental model of Chagas disease.

J Med Chem 56: 10158-70 (2013)

Epichem Pty Ltd.

2D 3D TSV

24300919

Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies.

Bioorg Med Chem 22: 334-40 (2014)

Universit£ degli Studi di Firenze

2D 3D TSV

24300918

New insights into molecular recognition of 1,1-bisphosphonic acids by farnesyl diphosphate synthase.

Bioorg Med Chem 22: 398-405 (2013)

Universidad de Buenos Aires

2D 3D TSV

24300734

Design, synthesis and evaluation of dual pharmacology�2-adrenoceptor agonists and PDE4 inhibitors.

Bioorg Med Chem Lett 24: 249-53 (2013)

Sun Yat-sen University

2D 3D TSV

24299557

The human liver fatty acid binding protein T94A variant alters the structure, stability, and interaction with fibrates.

Biochemistry 52: 9347-57 (2013)

Texas A&M University

2D 3D TSV

24299503

Development of 1,8-naphthalimides as clathrin inhibitors.

J Med Chem 57: 131-43 (2014)

The University of Newcastle

2D 3D TSV

24299463

Design, synthesis, and evaluation of hydroxamic acid derivatives as promising agents for the management of Chagas disease.

J Med Chem 57: 298-308 (2014)

Instituto Militar de Engenharia

2D 3D TSV

24296013

Synthesis and anticancer activities of thieno[3,2-d]pyrimidines as novel HDAC inhibitors.

Bioorg Med Chem 22: 358-65 (2014)

Nantong University

2D 3D TSV

24296012

Synthesis and SAR study of a novel series of dopamine receptor agonists.

Bioorg Med Chem 22: 381-92 (2013)

University of Copenhagen

2D 3D TSV

24295787

Novel di-tertiary-butyl phenylhydrazones as dual cyclooxygenase-2/5-lipoxygenase inhibitors: synthesis, COX/LOX inhibition, molecular modeling, and insights into their cytotoxicities.

Bioorg Med Chem Lett 24: 317-24 (2013)

Medical University of South Carolina

2D 3D TSV

24295325

Discrimination of potent inhibitors of Toxoplasma gondii enoyl-acyl carrier protein reductase by a thermal shift assay.

Biochemistry 52: 9155-66 (2013)

Johns Hopkins Bloomberg School of Public Health

2D 3D TSV

24295046

Design, synthesis, and biological evaluation of 1-phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3� inhibitors.

J Med Chem 56: 10066-78 (2013)

Universit£ di Napoli Federico II

2D 3D TSV

24294985

Medicinal chemistry of inhibitors of 11�-hydroxysteroid dehydrogenase type 1 (11�-HSD1).

J Med Chem 57: 4466-86 (2014)

AstraZeneca

2D 3D TSV

24294969

Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.

J Med Chem 56: 10003-15 (2013)

Amgen Inc

2D 3D TSV

24294923

Piperazine oxadiazole inhibitors of acetyl-CoA carboxylase.

J Med Chem 56: 10132-41 (2013)

Amgen Inc

2D 3D TSV

24294411

Small-Molecule Allosteric Activation of Human Glucokinase in the Absence of Glucose.

ACS Med Chem Lett 4: (2013)

Florida State University

2D 3D TSV

24292338

2-(1H-Pyrazol-1-yl)acetic acids as chemoattractant receptor-homologous molecule expressed on Th2 lymphocytes (CRTh2) antagonists.

Eur J Med Chem 71: 168-84 (2014)

Rhône-Poulenc Rorer

2D 3D TSV

24291567

Carbonic anhydrase inhibitors. Synthesis, and molecular structure of novel series N-substituted N'-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)guanidines and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII.

Eur J Med Chem 71: 135-47 (2014)

Medical University of Gdansk

2D 3D TSV

154

24291042

Synthesis, anti-HIV activity, integrase enzyme inhibition and molecular modeling of catechol, hydroquinone and quinol labdane analogs.

Bioorg Med Chem Lett 24: 302-7 (2014)

Mumbai University

2D 3D TSV

24291040

Synthesis and preliminary evaluation of a new fluorine-18 labelled triazine derivative for PET imaging of cannabinoid CB2 receptor.

Bioorg Med Chem Lett 24: 283-7 (2014)

Sanofi R&D

2D 3D TSV

24290064

Synthesis and pharmacological characterization of 1-benzyl-4-aminoindole-based thyroid hormone receptor� agonists.

Bioorg Med Chem 22: 488-98 (2013)

Sanwa Kagaku Kenkyusho Co., Ltd

2D 3D TSV

24290063

From NMDA receptor antagonists to discovery of selectives2 receptor ligands.

Bioorg Med Chem 22: 393-7 (2013)

Universit£ di Messina

2D 3D TSV

24290062

Small molecule inhibitors of anthrax lethal factor toxin.

Bioorg Med Chem 22: 419-34 (2013)

Microbiotix Inc

2D 3D TSV

142

24287560

Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells.

Eur J Med Chem 71: 112-27 (2014)

University of Messina

2D 3D TSV

24287559

Structure-based screening for the discovery of new carbonic anhydrase VII inhibitors.

Eur J Med Chem 71: 105-11 (2014)

Universit£ di Messina

2D 3D TSV

24287382

Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.

Bioorg Med Chem Lett 24: 360-6 (2013)

AstraZeneca

2D 3D TSV

24286762

Fragment based discovery of arginine isosteres through REPLACE: towards non-ATP competitive CDK inhibitors.

Bioorg Med Chem 22: 616-22 (2013)

University of South Carolina

2D 3D TSV

24286207

Controlled-deactivation cannabinergic ligands.

J Med Chem 56: 10142-57 (2013)

Northeastern University

2D 3D TSV

24280068

Imatinib analogs as potential agents for PET imaging of Bcr-Abl and c-KIT expression at a kinase level.

Bioorg Med Chem 22: 623-32 (2013)

The University of Texas M.D. Anderson Cancer Center

2D 3D TSV

24279990

Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.

Bioorg Med Chem Lett 24: 337-43 (2013)

Forma Therapeutics Inc

2D 3D TSV

24279689

Prostanoid receptor EP2 as a therapeutic target.

J Med Chem 57: 4454-65 (2014)

Emory University

2D 3D TSV

24275349

Design, synthesis and preliminary SAR studies of novel N-arylmethyl substituted piperidine-linked aniline derivatives as potent HIV-1 NNRTIs.

Bioorg Med Chem 22: 633-42 (2014)

Shandong University

2D 3D TSV

24275248

Synthesis and biological evaluation of new epalrestat analogues as aldose reductase inhibitors (ARIs).

Eur J Med Chem 71: 53-66 (2014)

CSIR-Indian Institute of Chemical Technology

2D 3D TSV

24274468

2-Aminonicotinic acid 1-oxides are chemically stable inhibitors of quinolinic acid synthesis in the mammalian brain: a step toward new antiexcitotoxic agents.

J Med Chem 56: 9482-95 (2014)

Universit£ degli Studi di Parma

2D 3D TSV

24274400

Scaffold ranking and positional scanning utilized in the discovery of nAChR-selective compounds suitable for optimization studies.

J Med Chem 56: 10103-17 (2013)

Torrey Pines Institute for Molecular Studies

2D 3D TSV

24273637

Homodimers of the Antiviral Abacavir as Modulators of P-glycoprotein Transport in Cell Culture: Probing Tether Length.

Medchemcomm 4: (2013)

Purdue University

2D 3D TSV

24269986

Design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors.

Bioorg Chem 52: 1-7 (2014)

Quaid-I-Azam University, Islamabad, Pakistan.

2D 3D TSV

24269511

Novel 2-chloro-4-anilino-quinazoline derivatives as EGFR and VEGFR-2 dual inhibitors.

Eur J Med Chem 71: 1-14 (2014)

Federal University of Rio de Janeiro

2D 3D TSV

24269482

Identification of clinical candidates from the benzazepine class of histamine H3 receptor antagonists.

Bioorg Med Chem Lett 23: 6890-6 (2013)

GlaxoSmithKline

2D 3D TSV

24269480

Potent P2Y1 urea antagonists bearing various cyclic amine scaffolds.

Bioorg Med Chem Lett 23: 6825-8 (2013)

Bristol-Myers Squibb Co.

2D 3D TSV

24269479

(S)-4-Trimethylsilyl-3-butyn-2-ol as an auxiliary for stereocontrolled synthesis of salinosporamide analogs with modifications at positions C2 and C5.

Bioorg Med Chem Lett 23: 6905-10 (2013)

The Pennsylvania State University

2D 3D TSV

24269162

NAD-based inhibitors with anticancer potential.

Bioorg Med Chem Lett 24: 332-6 (2014)

University of Minnesota

2D 3D TSV

24269123

Evaluation of benzoic acid derivatives as sirtuin inhibitors.

Bioorg Med Chem Lett 24: 349-52 (2013)

San Francisco State University

2D 3D TSV

24268551

Synthesis, antioxidant capacity, and structure-activity relationships of tri-O-methylnorbergenin analogues on tyrosinase inhibition.

Bioorg Med Chem Lett 23: 6580-4 (2013)

Kinki University

2D 3D TSV

24266880

Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B.

J Med Chem 57: 2121-35 (2014)

PTC Therapeutics, Inc.

2D 3D TSV

24266771

Bisphenol A binds to Ras proteins and competes with guanine nucleotide exchange: implications for GTPase-selective antagonists.

J Med Chem 56: 9664-72 (2014)

Ruhr University of Bochum

2D 3D TSV

24266709

Novel S1P1 receptor agonists--part 1: From pyrazoles to thiophenes.

J Med Chem 56: 9737-55 (2014)

Actelion Pharmaceuticals Ltd

2D 3D TSV

24262888

The most effective influence of 17-(3-ethoxypropyl) substituent on the binding affinity and the agonistic activity in KNT-127 derivatives, ? opioid receptor agonists.

Bioorg Med Chem 21: 7628-47 (2013)

Kitasato University

2D 3D TSV

Discovery and characterisation of hydrazines as inhibitors of the immune suppressive enzyme, indoleamine 2,3-dioxygenase 1 (IDO1).

24262887

Bioorg Med Chem 21: 7595-603 (2013)

University of Auckland

2D 3D TSV

24262886

Discovery of N-{5-[3-(3-hydroxypiperidin-1-yl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl}acetamide (TASP0415914) as an orally potent phosphoinositide 3-kinase� inhibitor for the treatment of inflammatory diseases.

Bioorg Med Chem 21: 7578-83 (2013)

Taisho Pharmaceutical Co., Ltd

2D 3D TSV

24262884

Synthesis, docking and pharmacological evaluation of novel homo- and hetero-bis 3-piperazinylpropylindole derivatives at SERT and 5-HT1A receptor.

Bioorg Med Chem 21: 7604-11 (2013)

Universidad de Chile

2D 3D TSV

24262883

Further discovery of caffeic acid derivatives as novel influenza neuraminidase inhibitors.

Bioorg Med Chem 21: 7715-23 (2013)

Shandong University

2D 3D TSV

24262882

Synthesis, radiosynthesis and first in vitro evaluation of novel PET-tracers for the dopamine transporter: [(11)C]IPCIT and [(18)F]FE@IPCIT.

Bioorg Med Chem 21: 7562-9 (2013)

Medical University of Vienna

2D 3D TSV

24261937

Protease inhibitors from Microcystis aeruginosa bloom material collected from the Dalton Reservoir, Israel.

J Nat Prod 76: 2307-15 (2013)

Tel-Aviv University

2D 3D TSV

24261862

Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.

J Med Chem 56: 9934-54 (2013)

BioFocus

2D 3D TSV

24257746

A L-lysine transporter of high stereoselectivity of the amino acid-polyamine-organocation (APC) superfamily: production, functional characterization, and structure modeling.

J Biol Chem 289: 1377-87 (2014)

Max Planck Institute of Biophysics

2D 3D TSV

24256330

Recent advances in the discovery of small molecules targeting exchange proteins directly activated by cAMP (EPAC).

J Med Chem 57: 3651-65 (2014)

University of Texas Medical Branch

2D 3D TSV

24256217

Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1).

J Med Chem 56: 10045-65 (2013)

The Institute of Cancer Research

2D 3D TSV

177

24252546

SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists.

Bioorg Med Chem Lett 23: 6569-76 (2013)

Asahi Kasei Pharma Corporation

2D 3D TSV

24252545

Discovery of an irreversible HCV NS5B polymerase inhibitor.

Bioorg Med Chem Lett 23: 6585-7 (2013)

Merck Research Laboratories

2D 3D TSV

24251446

Lipoamide channel-binding sulfonamides selectively inhibit mycobacterial lipoamide dehydrogenase.

Biochemistry 52: 9375-84 (2013)

Weill Cornell Medical College

2D 3D TSV

24251366

Development and pharmacological characterization of conformationally constrained urotensin II-related peptide agonists.

J Med Chem 56: 9612-22 (2014)

Universit£ du Qu£bec

2D 3D TSV

24247003

Sulphonamide 1,4-dithia-7-azaspiro[4,4]nonane derivatives as gelatinase A inhibitors.

Bioorg Med Chem 21: 7752-62 (2013)

Shandong University

2D 3D TSV

24246730

Design and synthesis of potent and selective P2X3 receptor antagonists derived from PPADS as potential pain modulators.

Eur J Med Chem 70: 811-30 (2013)

Gwangju Institute of Science and Technology (GIST)

2D 3D TSV

24239625

Unraveling phosphodiesterase surfaces. Identification of phosphodiesterase 7 allosteric modulation cavities.

Eur J Med Chem 70: 781-8 (2013)

Instituto de Qu£mica M£dica (CSIC)

2D 3D TSV

24239482

Discovery of an intravenous hepatoselective glucokinase activator for the treatment of inpatient hyperglycemia.

Bioorg Med Chem Lett 23: 6588-92 (2013)

Pfizer Inc

2D 3D TSV

24239481

Novel piperidinylamino-diarylpyrimidine derivatives with dual structural conformations as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem Lett 23: 6593-7 (2013)

Shandong University

2D 3D TSV

24239189

Substituted phenyl as a steroid A-ring mimetic: providing agonist activity to a class of arylsulfonamide nonsteroidal glucocorticoid ligands.

Bioorg Med Chem Lett 23: 6645-9 (2013)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

24239188

Pyrido[2,3-d]pyrimidines: discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.

Bioorg Med Chem Lett 23: 6610-5 (2013)

Hoffmann-La Roche Inc

2D 3D TSV

24239186

Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.

Bioorg Med Chem Lett 23: 6604-9 (2013)

Genentech

2D 3D TSV

24239017

Design, synthesis and biological evaluation of ?-substituted isonipecotic acid benzothiazole analogues as potent bacterial type II topoisomerase inhibitors.

Bioorg Med Chem Lett 23: 6598-603 (2013)

Biota Holdings Ltd

2D 3D TSV

24238902

Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition.

Bioorg Med Chem 21: 7612-23 (2013)

Astellas Pharma Inc

2D 3D TSV

24238901

The synthesis and biodistribution of [(11)C]metformin as a PET probe to study hepatobiliary transport mediated by the multi-drug and toxin extrusion transporter 1 (MATE1) in vivo.

Bioorg Med Chem 21: 7584-90 (2013)

RIKEN Center for Life Science Technologies

2D 3D TSV

24237195

High-throughput virtual screening identifies novel N'-(1-phenylethylidene)-benzohydrazides as potent, specific, and reversible LSD1 inhibitors.

J Med Chem 56: 9496-508 (2014)

University of Utah

2D 3D TSV

24237160

Design and synthesis of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (citalopram) analogues as novel probes for the serotonin transporter S1 and S2 binding sites.

J Med Chem 56: 9709-24 (2013)

National Institute on Drug Abuse-Intramural Research Program

2D 3D TSV

24237039

3-Azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane derivatives: from wild-type inhibitors of the M2 ion channel of influenza A virus to derivatives with potent activity against the V27A mutant.

J Med Chem 56: 9265-74 (2013)

Universitat de Barcelona

2D 3D TSV

24231650

Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection.

Bioorg Med Chem 21: 7763-78 (2013)

University of Groningen

2D 3D TSV

24231362

Discovery of benzo[d]imidazo[5,1-b]thiazole as a new class of phosphodiesterase 10A inhibitors.

Bioorg Med Chem Lett 23: 6747-54 (2013)

Glenmark Pharmaceuticals Limited

2D 3D TSV

24231308

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

Eur J Med Chem 70: 723-39 (2013)

Universit£ degli Studi di Bari "Aldo Moro"

2D 3D TSV

24228714

MT1 and MT2 melatonin receptors: ligands, models, oligomers, and therapeutic potential.

J Med Chem 57: 3161-85 (2014)

The German University in Cairo

2D 3D TSV

24225950

Identification of a small peptide that inhibits PCSK9 protein binding to the low density lipoprotein receptor.

J Biol Chem 289: 942-55 (2014)

Genentech Inc

2D 3D TSV

24224843

Protein tyrosine phosphatase 1B (PTP1B) inhibitors from Morinda citrifolia (Noni) and their insulin mimetic activity.

J Nat Prod 76: 2080-7 (2013)

Chosun University

2D 3D TSV

24224763

Removal of human ether-�-go-go related gene (hERG) K+ channel affinity through rigidity: a case of clofilium analogues.

J Med Chem 56: 9427-40 (2013)

Leiden University

2D 3D TSV

24224729

Imidazopyridazine hepatitis C virus polymerase inhibitors. Structure-activity relationship studies and the discovery of a novel, traceless prodrug mechanism.

J Med Chem 57: 1964-75 (2014)

GlaxoSmithKline Research & Development

2D 3D TSV

24224654

Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.

J Med Chem 56: 9789-801 (2014)

Pharma Research and Early

2D 3D TSV

24224573

Optimization of O3-acyl kojic acid derivatives as potent and selective human neutrophil elastase inhibitors.

J Med Chem 56: 9802-6 (2014)

Universidade de Lisboa

2D 3D TSV

24220173

Preparation, in vitro evaluation and molecular modelling of pyridinium-quinolinium/isoquinolinium non-symmetrical bisquaternary cholinesterase inhibitors.

Bioorg Med Chem Lett 23: 6663-6 (2013)

Charles University in Prague

2D 3D TSV

24220172

Novel tacrine-ebselen hybrids with improved cholinesterase inhibitory, hydrogen peroxide and peroxynitrite scavenging activity.

Bioorg Med Chem Lett 23: 6737-42 (2013)

Sun Yat-sen University

2D 3D TSV

24220171

Novel glycosylated endomorphin-2 analog produces potent centrally-mediated antinociception in mice after peripheral administration.

Bioorg Med Chem Lett 23: 6673-6 (2013)

Medical University of Lodz

2D 3D TSV

24220170

In vitro cytotoxicity on human ovarian cancer cells by T-type calcium channel blockers.

Bioorg Med Chem Lett 23: 6656-62 (2013)

Kyung Hee University

2D 3D TSV

24219778

Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.

J Med Chem 56: 9693-700 (2014)

Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

2D 3D TSV

139

24216094

Isoquinoline derivatives as potent CRTH2 antagonists: design, synthesis and SAR.

Bioorg Med Chem 21: 7674-85 (2013)

Taisho Pharmaceutical Co., Ltd

2D 3D TSV

24216091

Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors.

Bioorg Med Chem 21: 7686-98 (2013)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

24215892

Discovery of 2,5-diarylnicotinamides as selective orexin-2 receptor antagonists (2-SORAs).

Bioorg Med Chem Lett 23: 6620-4 (2013)

Merck Research Laboratories

2D 3D TSV

24215891

Function-regulating pharmacophores in a sulfonamide class of glucocorticoid receptor agonists.

Bioorg Med Chem Lett 23: 6640-4 (2013)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

Synthesis and biological evaluation of nimesulide based new class of triazole derivatives as potential PDE4B inhibitors against cancer cells.

24215890

Bioorg Med Chem Lett 23: 6721-7 (2013)

MNR Degree & PG College

2D 3D TSV

24215889

Metabolism-guided discovery of a potent and orally bioavailable urea-based calcimimetic for the treatment of secondary hyperparathyroidism.

Bioorg Med Chem Lett 23: 6625-8 (2013)

Amgen Inc

2D 3D TSV

24215819

Identification of sulfonic acids as efficient ecto-5'-nucleotidase inhibitors.

Eur J Med Chem 70: 685-91 (2013)

COMSATS Institute of Information Technology

2D 3D TSV

24215352

Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.

J Med Chem 56: 9635-45 (2014)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

24211642

Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins.

Eur J Med Chem 70: 661-8 (2013)

Universit£ Pierre et Marie Curie

2D 3D TSV

24211641

An efficient approach to novel 17-5'-(1',2',4')-oxadiazolyl androstenes via the cyclodehydration of cytotoxic O-steroidacylamidoximes, and an evaluation of their inhibitory action on 17a-hydroxylase/C17,20-lyase.

Eur J Med Chem 70: 649-60 (2013)

University of Szeged

2D 3D TSV

24211638

Novel coumarin-3-carboxamides bearing N-benzylpiperidine moiety as potent acetylcholinesterase inhibitors.

Eur J Med Chem 70: 623-30 (2013)

Kerman University of Medical Sciences

2D 3D TSV

24211637

Advances in the studies of roles of Rho/Rho-kinase in diseases and the development of its inhibitors.

Eur J Med Chem 70: 613-22 (2013)

Sun Yat-sen University

2D 3D TSV

24211633

Synthesis of novel 1,2,3-triazole based benzoxazolinones: their TNF-? based molecular docking with in-vivo anti-inflammatory, antinociceptive activities and ulcerogenic risk evaluation.

Eur J Med Chem 70: 579-88 (2013)

Jamia Hamdard (Hamdard University)

2D 3D TSV

24211162

Discovery of XEN445: a potent and selective endothelial lipase inhibitor raises plasma HDL-cholesterol concentration in mice.

Bioorg Med Chem 21: 7724-34 (2013)

Xenon Pharmaceuticals Inc

2D 3D TSV

24211020

Chlorophenylpiperazine analogues as high affinity dopamine transporter ligands.

Bioorg Med Chem Lett 23: 6920-6922 (2013)

University of Maryland

2D 3D TSV

24210504

Design and synthesis of novel 3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine derivatives as selective G-protein-coupled receptor kinase-2 and -5 inhibitors.

Bioorg Med Chem Lett 23: 6711-6 (2013)

Korea Research Institute of Chemical Technology

2D 3D TSV

106

24210501

Radionuclide labeling and evaluation of candidate radioligands for PET imaging of histone deacetylase in the brain.

Bioorg Med Chem Lett 23: 6700-5 (2013)

Chonbuk National University

2D 3D TSV

24210500

Anion inhibition studies of a�-carbonic anhydrase from Clostridium perfringens.

Bioorg Med Chem Lett 23: 6706-10 (2013)

Universit£ degli Studi di Firenze

2D 3D TSV

24205976

Novel, broad-spectrum anticonvulsants containing a sulfamide group: pharmacological properties of (S)-N-[(6-chloro-2,3-dihydrobenzo[1,4]dioxin-2-yl)methyl]sulfamide (JNJ-26489112).

J Med Chem 56: 9019-30 (2013)

Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C.

2D 3D TSV

24200932

Design, synthesis, and biological evaluation of 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives as potential antihypertensive candidates.

Bioorg Med Chem 21: 7742-51 (2013)

China Pharmaceutical University

2D 3D TSV

24200808

Oxime-based inhibitors of glucose transporter 1 displaying antiproliferative effects in cancer cells.

Bioorg Med Chem Lett 23: 6923-7 (2013)

Universit£ di Pisa

2D 3D TSV

24200193

Characterization of a novela-conotoxin TxID from Conus textile that potently blocks rata3�4 nicotinic acetylcholine receptors.

J Med Chem 56: 9655-63 (2014)

Hainan University

2D 3D TSV

24200125

A prodrug approach toward cancer-related carbonic anhydrase inhibition.

J Med Chem 56: 9623-34 (2013)

Griffith University

2D 3D TSV

Exploration of a series of 5-arylidene-2-thioxoimidazolidin-4-ones as inhibitors of the cytolytic protein perforin.

24195776

J Med Chem 56: 9542-55 (2014)

University of Auckland

2D 3D TSV

24195762

Pseudo-cyclization through intramolecular hydrogen bond enables discovery of pyridine substituted pyrimidines as new Mer kinase inhibitors.

J Med Chem 56: 9683-92 (2014)

University of North Carolina at Chapel Hill

2D 3D TSV

Aurora isoform selectivity: design and synthesis of imidazo[4,5-b]pyridine derivatives as highly selective inhibitors of Aurora-A kinase in cells.

24195668

J Med Chem 56: 9122-35 (2013)

The Institute of Cancer Research

2D 3D TSV

24194520

Evidence of ternary complex formation in Trypanosoma cruzi trans-sialidase catalysis.

J Biol Chem 289: 423-36 (2014)

Universidade Federal do Rio de Janeiro

2D 3D TSV

24194519

Potent reversible inhibition of myeloperoxidase by aromatic hydroxamates.

J Biol Chem 288: 36636-47 (2013)

University of Otago Christchurch

2D 3D TSV

24194515

Insights into distinct modulation of a7 and a7�2 nicotinic acetylcholine receptors by the volatile anesthetic isoflurane.

J Biol Chem 288: 35793-800 (2013)

University of Pittsburgh

2D 3D TSV

24189496

8-(2-Furyl)adenine derivatives as A?A adenosine receptor ligands.

Eur J Med Chem 70: 525-35 (2013)

University of Camerino

2D 3D TSV

24189186

Synthesis and structure-activity relationships of new carbonyl guanidine derivatives as novel dual 5-HT2B and 5-HT7 receptor antagonists.

Bioorg Med Chem 21: 7841-52 (2013)

Astellas Pharma Inc

2D 3D TSV

24189056

Salen and tetrahydrosalen derivatives act as effective inhibitors of the tumor-associated carbonic anhydrase XII--a new scaffold for designing isoform-selective inhibitors.

Bioorg Med Chem Lett 23: 6759-63 (2013)

Sapienza University of Rome

2D 3D TSV

24189054

PDE2 inhibition: potential for the treatment of cognitive disorders.

Bioorg Med Chem Lett 23: 6522-7 (2013)

Dart Neuroscience LLC

2D 3D TSV

24188023

Chemical probes to study ADP-ribosylation: synthesis and biochemical evaluation of inhibitors of the human ADP-ribosyltransferase ARTD3/PARP3.

J Med Chem 56: 9556-68 (2014)

Ume£ University

2D 3D TSV

24188002

Development of DANDYs, new 3,5-diaryl-7-azaindoles demonstrating potent DYRK1A kinase inhibitory activity.

J Med Chem 56: 9569-85 (2014)

UPR 2301, CNRS

2D 3D TSV

24187998

Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists.

J Med Chem 56: 9673-82 (2014)

University of Copenhagen

2D 3D TSV

24187139

Defining the communication between agonist and coactivator binding in the retinoid X receptor a ligand binding domain.

J Biol Chem 289: 814-26 (2014)

University of Alabama at Birmingham

2D 3D TSV

24185379

Solution-phase microwave assisted parallel synthesis of N,N'-disubstituted thioureas derived from benzoic acid: biological evaluation and molecular docking studies.

Eur J Med Chem 70: 487-96 (2013)

Quaid-i-Azam University

2D 3D TSV

24185377

Design, synthesis and molecular modelling studies of novel 3-acetamido-4-methyl benzoic acid derivatives as inhibitors of protein tyrosine phosphatase 1B.

Eur J Med Chem 70: 469-76 (2013)

School of Pharmaceutical Sciences

2D 3D TSV

24185375

Synthesis, structure-activity relationship and biological evaluation of 2,4,5-trisubstituted pyrimidine CDK inhibitors as potential anti-tumour agents.

Eur J Med Chem 70: 447-55 (2013)

University of Nottingham

2D 3D TSV

24184776

Synthesis, biological evaluation and molecular docking studies of flavone and isoflavone derivatives as a novel class of KSP (kinesin spindle protein) inhibitors.

Eur J Med Chem 70: 427-33 (2013)

Nanjing University

2D 3D TSV

24184213

Investigation of quinazolines as inhibitors of breast cancer resistance protein (ABCG2).

Bioorg Med Chem 21: 7858-73 (2013)

University of Bonn

2D 3D TSV

24184076

Recycling antimalarial leads for cancer: Antiproliferative properties of N-cinnamoyl chloroquine analogues.

Bioorg Med Chem Lett 23: 6769-72 (2013)

Centro de Investiga££o em Qu£mica da Universidade do Porto

2D 3D TSV

24183742

Design, synthesis and biological evaluation of novel 4-anilinoquinazolines with C-6 urea-linked side chains as inhibitors of the epidermal growth factor receptor.

Bioorg Med Chem 21: 7988-98 (2013)

Chinese Academy of Sciences

2D 3D TSV

24183741

Inhibitors of tissue-nonspecific alkaline phosphatase: design, synthesis, kinetics, biomineralization and cellular tests.

Bioorg Med Chem 21: 7981-7 (2013)

Universit£ de Lyon

2D 3D TSV

24183739

Synthesis and pharmacological characterization of benzenesulfonamides as dual species inhibitors of human and murine mPGES-1.

Bioorg Med Chem 21: 7874-83 (2013)

Goethe-University Frankfurt

2D 3D TSV

24183588

Towards tropomyosin-related kinase B (TrkB) receptor ligands for brain imaging with PET: radiosynthesis and evaluation of 2-(4-[(18)F]fluorophenyl)-7,8-dihydroxy-4H-chromen-4-one and 2-(4-([N-methyl-(11)C]-dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one.

Bioorg Med Chem 21: 7816-29 (2013)

Universit£ de Montr£al

2D 3D TSV

24183538

Novel Mps1 kinase inhibitors: from purine to pyrrolopyrimidine and quinazoline leads.

Bioorg Med Chem Lett 23: 6829-33 (2013)

Myrexis Inc

2D 3D TSV

24182233

Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties.

J Med Chem 56: 9586-600 (2014)

Bristol-Myers Squibb Co.

2D 3D TSV

24177367

Fragment-based approach to the design of 5-chlorouracil-linked-pyrazolo[1,5-a][1,3,5]triazines as thymidine phosphorylase inhibitors.

Eur J Med Chem 70: 400-10 (2013)

National University of Singapore

2D 3D TSV

24177366

Novel toll-like receptor 4 (TLR4) antagonists identified by structure- and ligand-based virtual screening.

Eur J Med Chem 70: 393-9 (2013)

Blood Transfusion Centre of Slovenia

2D 3D TSV

24176400

Synthesis of novel 7-substituted pyrido[2',3':4,5]furo[3,2-d]pyrimidin-4-amines and their N-aryl analogues and evaluation of their inhibitory activity against Ser/Thr kinases.

Bioorg Med Chem Lett 23: 6784-8 (2013)

COBRA

2D 3D TSV

24176396

The discovery of novel N-(2-pyrimidinylamino) benzamide derivatives as potent hedgehog signaling pathway inhibitors.

Bioorg Med Chem Lett 23: 6777-83 (2013)

Jiangsu Simcere Pharmaceutical Co. Ltd

2D 3D TSV

24176395

2-(2-Phenylmorpholin-4-yl)pyrimidin-4(3H)-ones; a new class of potent, selective and orally active glycogen synthase kinase-3� inhibitors.

Bioorg Med Chem Lett 23: 6933-7 (2013)

Mitsubishi Tanabe Pharma Corporation

2D 3D TSV

24175626

Identification of CB1/CB2 ligands from Zanthoxylum bungeanum.

J Nat Prod 76: 2060-4 (2013)

National Institute on Aging

2D 3D TSV

24175584

5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.

J Med Chem 56: 9441-56 (2014)

Sanofi-Aventis R&D

2D 3D TSV

24175572

6-Alkoxy-5-aryl-3-pyridinecarboxamides, a new series of bioavailable cannabinoid receptor type 1 (CB1) antagonists including peripherally selective compounds.

J Med Chem 56: 9874-96 (2013)

F. Hoffmann-La Roche Inc

2D 3D TSV

24171552

Expanding the Scope of Human DNA Polymerase � and � Inhibitors.

ACS Chem Biol 9: 282-90 (2014)

University of Konstanz

2D 3D TSV

24171493

Aminothiazole-featured pirinixic acid derivatives as dual 5-lipoxygenase and microsomal prostaglandin E2 synthase-1 inhibitors with improved potency and efficiency in vivo.

J Med Chem 56: 9031-44 (2013)

Goethe-University Frankfurt

2D 3D TSV

24171478

Structure-activity relationship study of permethyl ningalin B analogues as P-glycoprotein chemosensitizers.

J Med Chem 56: 9057-70 (2013)

Ocean University of China

2D 3D TSV

24171469

Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.

J Med Chem 56: 9045-56 (2013)

National Institutes of Health

2D 3D TSV

24169316

Chromenylchalcones with inhibitory effects on monoamine oxidase B.

Bioorg Med Chem 21: 7890-7 (2013)

Konkuk University

2D 3D TSV

24169315

Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.

Bioorg Med Chem 21: 7938-54 (2013)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

24167659

Design and Synthesis of Potent Bivalent Peptide Agonists Targeting the EphA2 Receptor.

ACS Med Chem Lett 4: (2013)

State University of New York

2D 3D TSV

24165164

Beyond topoisomerase inhibition: antitumor 1,4-naphthoquinones as potential inhibitors of human monoamine oxidase.

Chem Biol Drug Des 83: 401-10 (2014)

Federal University of Rio de Janeiro

2D 3D TSV

24164966

Identification of type II inhibitors targeting BRAF using privileged pharmacophores.

Chem Biol Drug Des 83: 27-36 (2014)

Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North One Road, Hongkou District, Shanghai, 200437, China

2D 3D TSV

24164628

Adenosine A2A receptor as a drug discovery target.

J Med Chem 57: 3623-50 (2014)

Merck Research Laboratories

2D 3D TSV

186

24164599

Discovery of the first M5-selective and CNS penetrant negative allosteric modulator (NAM) of a muscarinic acetylcholine receptor: (S)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one (ML375).

J Med Chem 56: 9351-5 (2013)

Vanderbilt University

2D 3D TSV

24164581

Conformationally constrained ortho-anilino diaryl ureas: discovery of 1-(2-(1'-neopentylspiro[indoline-3,4'-piperidine]-1-yl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea, a potent, selective, and bioavailable P2Y1 antagonist.

J Med Chem 56: 9275-95 (2013)

Bristol-Myers Squibb Co.

2D 3D TSV

24164513

Structure-activity relationships and molecular modeling of sphingosine kinase inhibitors.

J Med Chem 56: 9310-27 (2013)

The City University of New York

2D 3D TSV

24164245

Santacruzamate A, a potent and selective histone deacetylase inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.

J Nat Prod 76: 2026-33 (2013)

University of Connecticut

2D 3D TSV

24164086

Nicotinamide phosphoribosyltransferase inhibitors, design, preparation, and structure-activity relationship.

J Med Chem 56: 9071-88 (2013)

Topotarget A/S

2D 3D TSV

24161834

The discovery of the benzazepine class of histamine H3 receptor antagonists.

Bioorg Med Chem Lett 23: 6897-901 (2013)

GlaxoSmithKline

2D 3D TSV

24161678

Development of 3,4-dihydroisoquinolin-1(2H)-one derivatives for the Positron Emission Tomography (PET) imaging ofs2 receptors.

Eur J Med Chem 69: 920-30 (2013)

Universit£ degli Studi di Bari Aldo Moro

2D 3D TSV

24160350

Synthesis and evaluation of a (18)F-labeled diarylpyrazole glycoconjugate for the imaging of NTS1-positive tumors.

J Med Chem 56: 9361-5 (2013)

Friedrich-Alexander University

2D 3D TSV

24160297

Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen.

J Med Chem 56: 9089-99 (2013)

Sun Yat-sen University

2D 3D TSV

24160253

Design and synthesis of P1-P3 macrocyclic tertiary-alcohol-comprising HIV-1 protease inhibitors.

J Med Chem 56: 8999-9007 (2013)

Uppsala University

2D 3D TSV

24158442

Transition state analogues of Plasmodium falciparum and human orotate phosphoribosyltransferases.

J Biol Chem 288: 34746-54 (2013)

Albert Einstein College of Medicine

2D 3D TSV

24158015

A stereoselective approach to peptidomimetic BACE1 inhibitors.

Eur J Med Chem 70: 233-47 (2013)

University of Siena

2D 3D TSV

24158012

Scorpiand-like azamacrocycles prevent the chronic establishment of Trypanosoma cruzi in a murine model.

Eur J Med Chem 70: 189-98 (2013)

Universidad de Granada

2D 3D TSV

24157370

The sulfamide moiety affords higher inhibitory activity and oral bioavailability to a series of coumarin dual selective RAF/MEK inhibitors.

Bioorg Med Chem Lett 23: 6223-7 (2013)

Chugai Pharmaceutical Co. Ltd

2D 3D TSV

24157369

Synthesis and biological evaluation of positron emission tomography radiotracers targeting serotonin 4 receptors in brain: [18F]MNI-698 and [18F]MNI-699.

Bioorg Med Chem Lett 23: 6243-7 (2013)

Molecular NeuroImaging LLC

2D 3D TSV

24157367

Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.

Bioorg Med Chem Lett 23: 6860-3 (2013)

Northern Illinois University

2D 3D TSV

24157366

Discovery and optimization of orally active cyclohexane-based prolylcarboxypeptidase (PrCP) inhibitors.

Bioorg Med Chem Lett 23: 6228-33 (2013)

Merck Research Laboratories

2D 3D TSV

24157365

Design and synthesis of aryl sulfonamide-based nonsteroidal mineralocorticoid receptor antagonists.

Bioorg Med Chem Lett 23: 6239-42 (2013)

Pfizer Inc

2D 3D TSV

24156938

The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor (nAChR) ligands. Part 1: the influence of different hydrogen bond acceptor systems on alkyl and (hetero)aryl substituents.

Bioorg Med Chem 21: 7283-308 (2013)

University of Bonn

2D 3D TSV

24156012

Synthesis and

Medchemcomm 4: 1283-1289 (2013)

Washington University School of Medicine

2D 3D TSV

24153396

Synthesis and biological evaluation of pyrrolidine-2-carbonitrile and 4-fluoropyrrolidine-2-carbonitrile derivatives as dipeptidyl peptidase-4 inhibitors for the treatment of type 2 diabetes.

Bioorg Med Chem 21: 7418-29 (2013)

Chinese Academy of Sciences

2D 3D TSV

24153205

4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable Stearoyl-CoA desaturase-1 (SCD1) inhibitors. Part 1: urea-based analogs.

Bioorg Med Chem Lett 23: 6773-6 (2013)

Janssen Research and Development LLC

2D 3D TSV

24152295

Discovery and optimization of piperidyl-1,2,3-triazole ureas as potent, selective, and in vivo-active inhibitors of a/�-hydrolase domain containing 6 (ABHD6).

Cell Chem Biol 56: 8270-9 (2013)

The Scripps Research Institute

2D 3D TSV

24148993

Acetylcholinesterase inhibitors as Alzheimer therapy: from nerve toxins to neuroprotection.

Eur J Med Chem 70: 165-88 (2013)

Punjabi University

2D 3D TSV

24148992

Novel state-dependent voltage-gated sodium channel modulators, based on marine alkaloids from Agelas sponges.

Eur J Med Chem 70: 154-64 (2013)

University of Ljubljana

2D 3D TSV

24148991

Thiazole-aminopiperidine hybrid analogues: design and synthesis of novel Mycobacterium tuberculosis GyrB inhibitors.

Eur J Med Chem 70: 143-53 (2013)

Birla Institute of Technology

2D 3D TSV

24148835

Design, synthesis and evaluation of novel 4-dimethylamine flavonoid derivatives as potential multi-functional anti-Alzheimer agents.

Bioorg Med Chem 21: 7275-82 (2013)

Henan University

2D 3D TSV

24148325

Discovery of novel PTP1B inhibitors via pharmacophore-oriented scaffold hopping from Ertiprotafib.

Bioorg Med Chem Lett 23: 6217-22 (2013)

Chinese Academy of Medical Sciences and Peking Union Medical College

2D 3D TSV

24147864

Synthesis and evaluation in monkey of [(18)F]4-fluoro-N-methyl-N-(4-(6-(methylamino)pyrimidin-4-yl)thiazol-2-yl)benzamide ([(18)F]FIMX): a promising radioligand for PET imaging of brain metabotropic glutamate receptor 1 (mGluR1).

J Med Chem 56: 9146-55 (2013)

National Institute of Mental Health

2D 3D TSV

24147825

2'-Deoxyuridine 5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives.

J Med Chem 56: 9356-60 (2013)

University of Modena and Reggio Emilia

2D 3D TSV

24147804

Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.

J Med Chem 56: 9242-50 (2013)

Vanderbilt University School of Medicine

2D 3D TSV

24145137

The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor ligands. Part 2: carboxamide derivatives with different spacer motifs.

Bioorg Med Chem 21: 7309-29 (2013)

University of Bonn

2D 3D TSV

24144854

Schiff's base derivatives bearing nitroimidazole moiety: new class of antibacterial, anticancer agents and potential EGFR tyrosine kinase inhibitors.

Bioorg Med Chem Lett 23: 6264-8 (2013)

Nanjing University

2D 3D TSV

24144853

Synthesis of 3-spiromorpholinone androsterone derivatives as inhibitors of 17�-hydroxysteroid dehydrogenase type 3.

Bioorg Med Chem Lett 23: 6360-2 (2013)

Laval University

2D 3D TSV

24144851

The design of a novel series of muscarinic receptor antagonists leading to AZD8683, a potential inhaled treatment for COPD.

Bioorg Med Chem Lett 23: 6248-53 (2013)

AstraZeneca

2D 3D TSV

24144848

Anti-cancer evaluation of carboxamides of furano-sesquiterpene carboxylic acids from the soft coral Sinularia kavarattiensis.

Bioorg Med Chem Lett 23: 6234-8 (2013)

CSIR-IICT

2D 3D TSV

24144404

4?-Methyl-5-(3-hydroxyphenyl)morphan opioid agonist and partial agonist derived from a 4?-methyl-5-(3-hydroxyphenyl)morphan pure antagonist.

J Med Chem 56: 8826-33 (2013)

Research Triangle Institute

2D 3D TSV

24144283

Structure-guided design of potent diazobenzene inhibitors for the BET bromodomains.

J Med Chem 56: 9251-64 (2013)

Icahn School of Medicine at Mount Sinai

2D 3D TSV

100

24144240

Design, synthesis, and biological evaluation of 14-heteroaromatic-substituted naltrexone derivatives: pharmacological profile switch from mu opioid receptor selectivity to mu/kappa opioid receptor dual selectivity.

J Med Chem 56: 9156-69 (2013)

Virginia Commonwealth University

2D 3D TSV

24141201

Synthetic cannabinoid quinones: preparation, in vitro antiproliferative effects and in vivo prostate antitumor activity.

Eur J Med Chem 70: 111-9 (2013)

Instituto de Qu£mica M£dica

2D 3D TSV

24140951

Novel polyamine analogues: from substrates towards potential inhibitors of monoamine oxidases.

Eur J Med Chem 70: 88-101 (2013)

University of Padova

2D 3D TSV

24140950

Design, synthesis and receptor affinity of novel conformationally restricteds ligands based on the [4.3.3]propellane scaffold.

Eur J Med Chem 70: 78-87 (2013)

Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

2D 3D TSV

24140447

Synthesis and evaluation of N-alkyl-S-[3-(piperidin-1-yl)propyl]isothioureas: high affinity and human/rat species-selective histamine H(3) receptor antagonists.

Bioorg Med Chem Lett 23: 6415-20 (2013)

Osaka University of Pharmaceutical Sciences

2D 3D TSV

24140446

GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.

Bioorg Med Chem Lett 23: 6463-6 (2013)

Centro de Investigaci�n Lilly

2D 3D TSV

24140444

Quinones bearing non-steroidal anti-inflammatory fragments as multitarget ligands for Alzheimer's disease.

Bioorg Med Chem Lett 23: 6254-8 (2013)

Alma Mater Studiorum University of Bologna

2D 3D TSV

24139940

Design and synthesis of silicon-containing tubulin polymerization inhibitors: replacement of the ethylene moiety of combretastatin A-4 with a silicon linker.

Bioorg Med Chem 21: 7381-91 (2013)

The University of Tokyo

2D 3D TSV

24139843

Development of fluorinated CB(2) receptor agonists for PET studies.

Bioorg Med Chem 21: 7481-98 (2013)

Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

2D 3D TSV

24139584

Identification and profiling of 3,5-dimethyl-isoxazole-4-carboxylic acid [2-methyl-4-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)phenyl] amide as histamine H(3) receptor antagonist for the treatment of depression.

Bioorg Med Chem Lett 23: 6269-73 (2013)

Sanofi US

2D 3D TSV

24139583

Discovery of 2-methylpyridine-based biaryl amides as�-secretase modulators for the treatment of Alzheimer's disease.

Bioorg Med Chem Lett 23: 6447-54 (2013)

Amgen Inc

2D 3D TSV

24139169

Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases.

Bioorg Med Chem 21: 7364-80 (2013)

Nerviano Medical Sciences

2D 3D TSV

175

24139167

1,3-Dialkyl-substituted tetrahydropyrimido[1,2-f]purine-2,4-diones as multiple target drugs for the potential treatment of neurodegenerative diseases.

Bioorg Med Chem 21: 7435-52 (2013)

University of Bonn

2D 3D TSV

419

24138940

Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).

Bioorg Med Chem Lett 23: 6331-5 (2013)

Evotec (UK) Ltd

2D 3D TSV

24138939

Enhancement of kinase selectivity in a potent class of arylamide FMS inhibitors.

Bioorg Med Chem Lett 23: 6363-9 (2013)

Janssen Research and Development LLC

2D 3D TSV

112

24138311

A structure-activity analysis of biased agonism at the dopamine D2 receptor.

J Med Chem 56: 9199-221 (2013)

Monash University (Parkville Campus)

2D 3D TSV

24135727

Azetidines and spiro azetidines as novel P2 units in hepatitis C virus NS3 protease inhibitors.

Bioorg Med Chem Lett 23: 6325-30 (2013)

Emory University

2D 3D TSV

24135724

Discovery, design and synthesis of a selective S1P(3) receptor allosteric agonist.

Bioorg Med Chem Lett 23: 6346-9 (2013)

The Scripps Research Institute

2D 3D TSV

24134904

Design, synthesis and biological evaluation of 3-benzyloxy-linked pyrimidinylphenylamine derivatives as potent HIV-1 NNRTIs.

Bioorg Med Chem 21: 7398-405 (2013)

Shandong University

2D 3D TSV

24133210

Effects of isoform-selective phosphatidylinositol 3-kinase inhibitors on osteoclasts: actions on cytoskeletal organization, survival, and resorption.

J Biol Chem 288: 35346-57 (2013)

Western University

2D 3D TSV

24133207

Novel structural and functional insights into M3 muscarinic receptor dimer/oligomer formation.

J Biol Chem 288: 34777-90 (2013)

National Institutes of Health

2D 3D TSV

24131448

Oxidative stress in Alzheimer's disease: are we connecting the dots?

J Med Chem 57: 2821-31 (2014)

University of Bologna

2D 3D TSV

24131420

Design of novel potent inhibitors of human uridine phosphorylase-1: synthesis, inhibition studies, thermodynamics, and in vitro influence on 5-fluorouracil cytotoxicity.

J Med Chem 56: 8892-902 (2013)

Pontifical Catholic University of Rio Grande do Sul

2D 3D TSV

24131218

Metabolically stable dibenzo[b,e]oxepin-11(6H)-ones as highly selective p38 MAP kinase inhibitors: optimizing anti-cytokine activity in human whole blood.

J Med Chem 56: 8561-78 (2013)

Eberhard-Karls-University T£bingen

2D 3D TSV

112

24131202

Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.

J Med Chem 56: 8736-45 (2013)

University of Copenhagen

2D 3D TSV

24131029

Triazole-dithiocarbamate based selective lysine specific demethylase 1 (LSD1) inactivators inhibit gastric cancer cell growth, invasion, and migration.

J Med Chem 56: 8543-60 (2013)

Zhengzhou University

2D 3D TSV

24129576

High accuracy in silico sulfotransferase models.

J Biol Chem 288: 34494-501 (2013)

Albert Einstein College of Medicine

2D 3D TSV

24128816

Design of fluorinated 5-HT(4)R antagonists: influence of the basicity and lipophilicity toward the 5-HT(4)R binding affinities.

Bioorg Med Chem 21: 7529-38 (2013)

University of Southampton

2D 3D TSV

24128815

Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.

Bioorg Med Chem 21: 7430-4 (2013)

Wayne State University

2D 3D TSV

24128814

Inhibition of cholinesterase and monoamine oxidase-B activity by Tacrine-Homoisoflavonoid hybrids.

Bioorg Med Chem 21: 7406-17 (2013)

Sun Yat-sen University

2D 3D TSV

24128813

Exploring a potential palonosetron allosteric binding site in the 5-HT(3) receptor.

Bioorg Med Chem 21: 7523-8 (2013)

Universit£ degli Studi di Modena e Reggio Emilia

2D 3D TSV

24128660

Design, synthesis and binding affinity of acetylcholine carbamoyl analogues.

Bioorg Med Chem Lett 23: 6481-5 (2013)

Universit£ di Milano

2D 3D TSV

24128000

Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates.

J Med Chem 56: 8512-20 (2013)

Ecole Nationale Sup£rieure de Chimie de Montpellier

2D 3D TSV

24127873

Targeting botulinum A cellular toxicity: a prodrug approach.

J Med Chem 56: 7870-9 (2013)

The Scripps Research Institute

2D 3D TSV

24126916

Molecular characterization of zebrafish Oatp1d1 (Slco1d1), a novel organic anion-transporting polypeptide.

J Biol Chem 288: 33894-911 (2013)

Rudjer Boskovic Institute

2D 3D TSV

24125888

Design, synthesis, and bioevaluation of viral 3C and 3C-like protease inhibitors.

Bioorg Med Chem Lett 23: 6317-20 (2013)

Kansas State University

2D 3D TSV

24125886

Scaffold hopping approach towards various AFQ-056 analogs as potent metabotropic glutamate receptor 5 negative allosteric modulators.

Bioorg Med Chem Lett 23: 6370-6 (2013)

Merz Pharmaceuticals GmbH

2D 3D TSV

24125885

Targeting the hydrophobic region of Hsp90's ATP binding pocket with novel 1,3,5-triazines.

Bioorg Med Chem Lett 23: 6427-31 (2013)

Kyungpook National University

2D 3D TSV

24125884

Modulators of the Sphingosine 1-phosphate receptor 1.

Bioorg Med Chem Lett 23: 6377-89 (2013)

The Scripps Research Institute

2D 3D TSV

24125851

Novel acetamidothiazole derivatives: synthesis and in vitro anticancer evaluation.

Eur J Med Chem 69: 908-19 (2013)

University of Mansoura

2D 3D TSV

24125850

Mastering tricyclic ring systems for desirable functional cannabinoid activity.

Eur J Med Chem 69: 881-907 (2013)

The University of Montana

2D 3D TSV

24124919

6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-5-hexenoic acids as dual inhibitors of recombinant HIV-1 integrase and ribonuclease H, synthesized by a parallel synthesis approach.

J Med Chem 56: 8588-98 (2013)

"Sapienza" Universit£ di Roma

2D 3D TSV

Design, synthesis, and biological evaluation of 2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidinyl derivatives as new irreversible epidermal growth factor receptor inhibitors with improved pharmacokinetic properties.

24124898

J Med Chem 56: 8803-13 (2013)

Chinese Academy of Sciences

2D 3D TSV

24121503

Chemotype-selective modes of action of �-opioid receptor agonists.

J Biol Chem 288: 34470-83 (2013)

University of North Carolina

2D 3D TSV

231

24121234

Discovery of a potent dual EGFR/HER-2 inhibitor L-2 (selatinib) for the treatment of cancer.

Eur J Med Chem 69: 833-41 (2013)

Qilu Pharmaceutical Co. Ltd

2D 3D TSV

24120542

The optimization of aminooxadiazoles as orally active inhibitors of Cdc7.

Bioorg Med Chem Lett 23: 6396-400 (2013)

Amgen Inc

2D 3D TSV

24120540

Identification of 2-aminooxazole amides as acyl-CoA: diacylglycerol acyltransferase 1 (DGAT1) inhibitors through scaffold hopping strategy.

Bioorg Med Chem Lett 23: 6410-4 (2013)

Merck Research Laboratories

2D 3D TSV

24119869

Novel coumarin-dihydropyrazole thio-ethanone derivatives: design, synthesis and anticancer activity.

Eur J Med Chem 74: 717-25 (2014)

Anhui Medical University

2D 3D TSV

24119557

3-[2-(Aminomethyl)-5-[(pyridin-4-yl)carbamoyl]phenyl] benzoates as soft ROCK inhibitors.

Bioorg Med Chem Lett 23: 6442-6 (2013)

Amakem N.V.

2D 3D TSV

24119555

Design, synthesis and biological evaluation of di-substituted cinnamic hydroxamic acids bearing urea/thiourea unit as potent histone deacetylase inhibitors.

Bioorg Med Chem Lett 23: 6432-5 (2013)

Central South University

2D 3D TSV

24119554

GluK1 antagonists from 6-(carboxy)phenyl decahydroisoquinoline derivatives. SAR and evaluation of a prodrug strategy for oral efficacy in pain models.

Bioorg Med Chem Lett 23: 6459-62 (2013)

Centro de Investigaci�n Lilly

2D 3D TSV

24119448

Design, synthesis and biological evaluation of N2,N4-disubstituted-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine derivatives as HIV-1 NNRTIs.

Bioorg Med Chem 21: 7091-100 (2013)

Shandong University

2D 3D TSV

24119291

Design, synthesis and biological evaluation of pazopanib derivatives as antitumor agents.

Chem Biol Drug Des 83: 306-16 (2014)

Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.

2D 3D TSV

24119242

Synthesis and evaluation of novel oleanolic acid derivatives as potential antidiabetic agents.

Chem Biol Drug Des 83: 297-305 (2014)

Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde, 067000, China

2D 3D TSV

24116873

Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.

J Med Chem 56: 7880-9 (2013)

University of Oulu

2D 3D TSV

24114842

The antiparasitic clioquinol induces apoptosis in leukemia and myeloma cells by inhibiting histone deacetylase activity.

J Biol Chem 288: 34181-9 (2013)

Soochow University

2D 3D TSV

24113240

Acidic biphenyl derivatives: synthesis and biological activity of a new series of potent 5-HT(4) receptor antagonists.

Bioorg Med Chem 21: 7134-45 (2013)

University of Oslo

2D 3D TSV

24113239

5-Deazaflavin derivatives as inhibitors of p53 ubiquitination by HDM2.

Bioorg Med Chem 21: 6868-77 (2013)

University of Nottingham

2D 3D TSV

24113238

Design and synthesis of novel 3,5-bis-N-(aryl/heteroaryl) carbamoyl-4-aryl-1,4-dihydropyridines as small molecule BACE-1 inhibitors.

Bioorg Med Chem 21: 6893-909 (2013)

Shiraz University of Medical Sciences

2D 3D TSV

24113062

Investigation of aryl halides as ketone bioisosteres: refinement of potent and selective inhibitors of human cytochrome P450 19A1 (aromatase).

Bioorg Med Chem Lett 23: 6060-3 (2013)

McMaster University

2D 3D TSV

24112084

The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities.

J Nat Prod 76: 1889-95 (2013)

Drexel University College of Medicine

2D 3D TSV

24112024

Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.

J Med Chem 56: 8497-511 (2013)

University of Montpellier

2D 3D TSV

24111942

Tumor-targeting with novel non-benzoyl 6-substituted straight chain pyrrolo[2,3-d]pyrimidine antifolates via cellular uptake by folate receptor a and inhibition of de novo purine nucleotide biosynthesis.

J Med Chem 56: 8684-95 (2013)

Duquesne University

2D 3D TSV

24108128

Structural basis for the recognition of mycolic acid precursors by KasA, a condensing enzyme and drug target from Mycobacterium tuberculosis.

J Biol Chem 288: 34190-204 (2013)

University of Wuerzburg

2D 3D TSV

24107104

Synthesis and pharmacological evaluation of aminothiazolomorphinans at the mu and kappa opioid receptors.

J Med Chem 56: 8872-8 (2013)

Harvard Medical School

2D 3D TSV

24107081

Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis.

J Med Chem 56: 8533-42 (2013)

AstraZeneca India Pvt. Ltd.

2D 3D TSV

24103580

Novel 6?-acylaminomorphinans with analgesic activity.

Eur J Med Chem 69: 786-9 (2013)

Semmelweis University

2D 3D TSV

24103430

Inhibition of human carbonic anhydrase isoforms I-XIV with sulfonamides incorporating fluorine and 1,3,5-triazine moieties.

Bioorg Med Chem 21: 6929-36 (2013)

Universit£ degli Studi di Firenze

2D 3D TSV

24103428

Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII.

Bioorg Med Chem 21: 6937-47 (2013)

Vilnius University

2D 3D TSV

271

24102612

Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity.

J Med Chem 56: 8696-711 (2013)

University of Bari "Aldo Moro"

2D 3D TSV

Design, optimization, and biological evaluation of novel keto-benzimidazoles as potent and selective inhibitors of phosphodiesterase 10A (PDE10A).

24102193

J Med Chem 56: 8781-92 (2013)

Amgen Inc.

2D 3D TSV

24102161

Clicking 3'-azidothymidine into novel potent inhibitors of human immunodeficiency virus.

J Med Chem 56: 8765-80 (2013)

University of Minnesota

2D 3D TSV

24102134

Discovery of an in vivo chemical probe of the lysine methyltransferases G9a and GLP.

J Med Chem 56: 8931-42 (2013)

University of North Carolina at Chapel Hill

2D 3D TSV

24100158

Discovery of NMS-E973 as novel, selective and potent inhibitor of heat shock protein 90 (Hsp90).

Bioorg Med Chem 21: 7047-63 (2013)

Nerviano Medical Sciences srl

2D 3D TSV

148

24100078

Click chemistry based synthesis of dopamine D4 selective receptor ligands for the selection of potential PET tracers.

Bioorg Med Chem Lett 23: 6079-82 (2013)

Friedrich-Alexander University

2D 3D TSV

24100077

Novel highly potent serotonin 5-HT7 receptor ligands: structural modifications to improve pharmacokinetic properties.

Bioorg Med Chem Lett 23: 6083-6 (2013)

Universit£ degli Studi di Bari 'Aldo Moro'

2D 3D TSV

24099996

Novel nonsecosteroidal VDR agonists with phenyl-pyrrolyl pentane skeleton.

Eur J Med Chem 69: 768-78 (2013)

China Pharmaceutical University

2D 3D TSV

24099995

Monoamine oxidase inhibitory activity of 3,5-biaryl-4,5-dihydro-1H-pyrazole-1-carboxylate derivatives.

Eur J Med Chem 69: 762-7 (2013)

Birla Institute of Technology

2D 3D TSV

24099220

Discovery of tryptanthrin derivatives as potent inhibitors of indoleamine 2,3-dioxygenase with therapeutic activity in Lewis lung cancer (LLC) tumor-bearing mice.

J Med Chem 56: 8321-31 (2013)

Fudan University

2D 3D TSV

24099149

Structure-activity-relationship studies around the 2-amino group and pyridine core of antimalarial 3,5-diarylaminopyridines lead to a novel series of pyrazine analogues with oral in vivo activity.

J Med Chem 56: 8860-71 (2013)

University of Cape Town

2D 3D TSV

24099080

On the histone lysine methyltransferase activity of fungal metabolite chaetocin.

J Med Chem 56: 8616-25 (2013)

Imperial College

2D 3D TSV

24099035

Dipeptidyl peptidase IV and its inhibitors: therapeutics for type 2 diabetes and what else?

J Med Chem 57: 2197-212 (2014)

CHUV-UNIL

2D 3D TSV

24098982

Fragment-to-hit-to-lead discovery of a novel pyridylurea scaffold of ATP competitive dual targeting type II topoisomerase inhibiting antibacterial agents.

Cell Chem Biol 56: 8712-35 (2013)

AstraZeneca R&D Boston

2D 3D TSV

24098954

Design, synthesis, and activity of a series of arylpyrid-3-ylmethanones as type I positive allosteric modulators of a7 nicotinic acetylcholine receptors.

J Med Chem 56: 8352-65 (2013)

University of California Irvine

2D 3D TSV

24095934

Synthesis and investigation of dihydroxychalcones as calpain and cathepsin inhibitors.

Bioorg Chem 51: 24-30 (2013)

Ewha Womans University, Seoul 120-750, Republic of Korea.

2D 3D TSV

24095762

Design and application of a rigid quinazolone scaffold based on two-face Bima-helix mimicking.

Eur J Med Chem 69: 711-8 (2013)

Dalian University of Technology

2D 3D TSV

24095761

Carbonic anhydrase inhibitors. Synthesis of heterocyclic 4-substituted pyridine-3-sulfonamide derivatives and their inhibition of the human cytosolic isozymes I and II and transmembrane tumor-associated isozymes IX and XII.

Eur J Med Chem 69: 701-10 (2013)

Medical University of Gdansk

2D 3D TSV

24095757

Design, syntheses, and characterization of pharmacophore based chemokine receptor CCR5 antagonists as anti prostate cancer agents.

Eur J Med Chem 69: 647-58 (2013)

Virginia Commonwealth University

2D 3D TSV

24095756

Multifunctional tacrine-flavonoid hybrids with cholinergic,�-amyloid-reducing, and metal chelating properties for the treatment of Alzheimer's disease.

Eur J Med Chem 69: 632-46 (2013)

China Pharmaceutical University

2D 3D TSV

24095755

Design, synthesis and biological activities of some 7-aminocephalosporanic acid derivatives.

Eur J Med Chem 69: 622-31 (2013)

Karadeniz Technical University

2D 3D TSV

24095744

New combination of pharmacophoric elements of potents1 ligands: design, synthesis ands receptor affinity of aminoethyl substituted tetrahydrobenzothiophenes.

Eur J Med Chem 69: 490-7 (2013)

Universit£t M£nster

2D 3D TSV

24095096

Synthesis and in vitro evaluation of a novel radioligand forav�3 integrin receptor imaging: [18F]FPPA-c(RGDfK).

Bioorg Med Chem Lett 23: 6068-72 (2013)

University Hospital of Geneva

2D 3D TSV

24095018

The discovery and optimization of novel dual inhibitors of topoisomerase II and histone deacetylase.

Bioorg Med Chem 21: 6981-95 (2013)

East China Normal University

2D 3D TSV

24095016

Development of novel ferulic acid derivatives as potent histone deacetylase inhibitors.

Bioorg Med Chem 21: 6973-80 (2013)

Xi'an Jiaotong University

2D 3D TSV

24095015

Perindopril and ramipril phosphonate analogues as a new class of angiotensin converting enzyme inhibitors.

Bioorg Med Chem 21: 7216-21 (2013)

Universit£ d'Orl£ans

2D 3D TSV

24095014

N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors.

Bioorg Med Chem 21: 7074-82 (2013)

UOS of Cagliari

2D 3D TSV

24095010

Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.

Bioorg Med Chem 21: 7107-17 (2013)

Institut de Recherche Exp£rimentale et Clinique (IREC)

2D 3D TSV

24094818

6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3? inhibitors.

Bioorg Med Chem Lett 23: 6928-32 (2013)

Mitsubishi Tanabe Pharma Corporation

2D 3D TSV

24094816

Hit-to-lead optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as a novel class of EP1 receptor antagonists.

Bioorg Med Chem Lett 23: 6064-7 (2013)

Asahi Kasei Pharma Corporation

2D 3D TSV

24094436

Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.

Bioorg Med Chem 21: 7025-37 (2013)

Kyushu University

2D 3D TSV

24094432

Discovery of 2-aryl-8-hydroxy (or methoxy)-isoquinolin-1(2H)-ones as novel EGFR inhibitor by scaffold hopping.

Bioorg Med Chem 21: 6956-64 (2013)

Xi'an Jiaotong University

2D 3D TSV

24093940

Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.

J Med Chem 56: 7788-803 (2013)

Hoffmann-La Roche Inc

2D 3D TSV

24092756

Molecular basis of cannabinoid CB1 receptor coupling to the G protein heterotrimer Gai߿: identification of key CB1 contacts with the C-terminal helix a5 of Gai.

J Biol Chem 288: 32449-65 (2013)

North Carolina Central University

2D 3D TSV

24091081

Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: a template-based approach.

Bioorg Med Chem Lett 23: 6178-82 (2013)

Merck Research Laboratories

2D 3D TSV

24091080

Synthesis, docking, and biological studies of phenanthrene ?-diketo acids as novel HIV-1 integrase inhibitors.

Bioorg Med Chem Lett 23: 6146-51 (2013)

University of Tennessee Health Science Center

2D 3D TSV

24090918

Indenoindoles and cyclopentacarbazoles as bioactive compounds: synthesis and biological applications.

Eur J Med Chem 69: 465-79 (2013)

The University of Oslo

2D 3D TSV

24090913

Synthesis and biological evaluation of novel delta (?) opioid receptor ligands with diazatricyclodecane skeletons.

Eur J Med Chem 69: 413-26 (2013)

C.N.R. Istituto di Farmacologia Traslazionale

2D 3D TSV

24090912

Design, synthesis, and biological evaluation of novel 2-ethyl-5-phenylthiazole-4-carboxamide derivatives as protein tyrosine phosphatase 1B inhibitors with improved cellular efficacy.

Eur J Med Chem 69: 399-412 (2013)

Chinese Academy of Sciences

2D 3D TSV

24090602

Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.

Bioorg Med Chem 21: 7210-5 (2013)

University of Florida

2D 3D TSV

24090443

Expeditious synthesis, enantiomeric resolution, and enantiomer functional characterization of (4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (4BP-TQS): an allosteric agonist-positive allosteric modulator of α7 nicotinic acetylcholine receptors.

J Med Chem 56: 8943-7 (2013)

Northeastern University

2D 3D TSV

24090423

Identification and structure-activity relationship study of carvacrol derivatives as Mycobacterium tuberculosis chorismate mutase inhibitors.

J Enzyme Inhib Med Chem 29: 547-54 (2014)

Birla Institute of Technology

2D 3D TSV

24090419

A systematic quantitative approach to rational drug design and discovery of novel human carbonic anhydrase IX inhibitors.

J Enzyme Inhib Med Chem 29: 571-81 (2014)

Birla Institute of Technology

2D 3D TSV

24090364

Replacement of Thr32 and Gln34 in the C-terminal neuropeptide Y fragment 25-36 by cis-cyclobutane and cis-cyclopentane β-amino acids shifts selectivity toward the Y(4) receptor.

J Med Chem 56: 8422-31 (2013)

University of Regensburg

2D 3D TSV

24090311

Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening.

J Med Chem 56: 8073-88 (2013)

The Institute of Cancer Research

2D 3D TSV

24090135

Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication.

J Med Chem 56: 8049-65 (2013)

Sanofi

2D 3D TSV

201

24088190

Thiazolopyridine ureas as novel antitubercular agents acting through inhibition of DNA Gyrase B.

Cell Chem Biol 56: 8834-48 (2013)

AstraZeneca India Pvt. Ltd.

2D 3D TSV

24088171

Molecular basis for the long duration of action and kinetic selectivity of tiotropium for the muscarinic M3 receptor.

J Med Chem 56: 8746-56 (2013)

Boehringer Ingelheim Pharma GmbH & Co. KG

2D 3D TSV

24088053

Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching.

J Med Chem 56: 8377-88 (2013)

E£tv£s Lor£nd University

2D 3D TSV

24084296

In vitro structure-activity relationships of aplysinopsin analogs and their in vivo evaluation in the chick anxiety-depression model.

Bioorg Med Chem 21: 7083-90 (2013)

University of Mississippi

2D 3D TSV

24084160

Design and synthesis of novel pyrimidone analogues as HIV-1 integrase inhibitors.

Bioorg Med Chem Lett 23: 6134-7 (2013)

Shandong University

2D 3D TSV

24083941

Nonhydrolyzable ATP analogues as selective inhibitors of human NPP1: a combined computational/experimental study.

J Med Chem 56: 8308-20 (2013)

Université Laval

2D 3D TSV

24083878

Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors.

J Med Chem 56: 8484-96 (2013)

University of Eastern Finland

2D 3D TSV

24083782

Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.

J Med Chem 56: 7772-87 (2013)

Hoffmann-La Roche Inc

2D 3D TSV

24083656

Substrate-based fragment identification for the development of selective, nonpeptidic inhibitors of striatal-enriched protein tyrosine phosphatase.

J Med Chem 56: 7636-50 (2013)

Yale University

2D 3D TSV

24083411

Effects of novel human cathepsin S inhibitors on cell migration in human cancer cells.

J Enzyme Inhib Med Chem 29: 538-46 (2014)

National Tsing Hua University

2D 3D TSV

24080463

Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity.

Bioorg Med Chem Lett 23: 6127-33 (2013)

National University of Singapore

2D 3D TSV

24080460

Serendipity in drug-discovery: a new series of 2-(benzyloxy)benzamides as TRPM8 antagonists.

Bioorg Med Chem Lett 23: 6118-22 (2013)

Pfizer Inc

2D 3D TSV

24079912

Kinetic and thermodynamic rationale for suberoylanilide hydroxamic acid being a preferential human histone deacetylase 8 inhibitor as compared to the structurally similar ligand, trichostatin a.

Biochemistry 52: 8139-49 (2013)

North Dakota State University

2D 3D TSV

24079820

Use of 2'-spirocyclic ethers in HCV nucleoside design.

J Med Chem 57: 1826-35 (2014)

Pharmasset, Inc.

2D 3D TSV

24079662

Rational development of 4-aminopyridyl-based inhibitors targeting Trypanosoma cruzi CYP51 as anti-chagas agents.

J Med Chem 56: 7651-68 (2013)

Scripps Florida

2D 3D TSV

24077529

Design, synthesis and efficacy of novel G protein-coupled receptor kinase 2 inhibitors.

Eur J Med Chem 69: 384-92 (2013)

University of Naples

2D 3D TSV

24077527

Squaric acid/4-aminoquinoline conjugates: novel potent antiplasmodial agents.

Eur J Med Chem 69: 365-72 (2013)

University of Lisbon. Av. Prof. Gama Pinto

2D 3D TSV

24077526

Development of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as novel Mycobacterium tuberculosis pantothenate synthetase inhibitors.

Eur J Med Chem 69: 356-64 (2013)

Birla Institute of Technology

2D 3D TSV

24077183

Modulation of A2B adenosine receptor by 1-Benzyl-3-ketoindole derivatives.

Eur J Med Chem 69: 331-7 (2013)

Universit£ di Pisa

2D 3D TSV

24076173

Reversible inhibition of human acetylcholinesterase by methoxypyridinium species.

Bioorg Med Chem Lett 23: 5786-9 (2013)

The University of Iowa

2D 3D TSV

24076172

Discovery of a potent, selective, and orally bioavailable histamine H3 receptor antagonist SAR110068 for the treatment of sleep-wake disorders.

Bioorg Med Chem Lett 23: 6141-5 (2013)

Sanofi US

2D 3D TSV

24075732

Discovery of a novel sub-class of ROMK channel inhibitors typified by 5-(2-(4-(2-(4-(1H-Tetrazol-1-yl)phenyl)acetyl)piperazin-1-yl)ethyl)isobenzofuran-1(3H)-one.

Bioorg Med Chem Lett 23: 5829-32 (2013)

Merck Research Laboratories

2D 3D TSV

24075729

Structure-based identification of novel PPAR gamma ligands.

Bioorg Med Chem Lett 23: 5795-802 (2013)

Universidade Federal do ABC

2D 3D TSV

24075145

Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate.

Bioorg Med Chem 21: 6264-73 (2013)

GlaxoSmithKline

2D 3D TSV

24074877

Dimeric argininamide-type neuropeptide Y receptor antagonists: chiral discrimination between Y1 and Y4 receptors.

Bioorg Med Chem 21: 6303-22 (2013)

University of Regensburg

2D 3D TSV