PMID

Data

Article Title

Organization

Discovery of novel BTK inhibitors with carboxylic acids.

Merck

Discovery of GSK2193874: An Orally Active, Potent, and Selective Blocker of Transient Receptor Potential Vanilloid 4.

Glaxosmithkline

Synthesis and biological activity of 4-(diphenylmethyl)-alpha-[(4-quinolinyloxy)methyl]-1-piperazineethanol and related compounds.

Warner-Lambert

Dihydropyrimidine calcium channel blockers. 2. 3-substituted-4-aryl-1,4-dihydro-6-methyl-5-pyrimidinecarboxylic acid esters as potent mimics of dihydropyridines.

Squibb Institute For Medical Research

Dimeric 1,4-dihydropyridines as calcium channel antagonists.

State University of New York

Crystal structures and pharmacologic activities of 1,4-dihydropyridine calcium channel antagonists of the isobutyl methyl 2,6-dimethyl-4-(substituted phenyl)-1,4-dihydropyridine-3,5-dicarboxylate (nisoldipine) series.

University of Oslo

Challenges in the development of an M

Vanderbilt University Medical Center

Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with

Merck

Discovery of a potent and selective ROMK inhibitor with improved pharmacokinetic properties based on an octahydropyrazino[2,1-c][1,4]oxazine scaffold.

Merck Research Laboratories

Discovery of benzofuran propanoic acid GPR120 agonists: From uHTS hit to mechanism-based pharmacodynamic effects.

Merck

Discovery and Optimization of a Novel Triazole Series of GPR142 Agonists for the Treatment of Type 2 Diabetes.

Merck

Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium Channel Blockers.

Actelion Pharmaceuticals

Discovery of Vibegron: A Potent and Selectiveß3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder.

Merck Research Laboratories

Discovery of Triazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys.

Merck Research Laboratories

Discovery of novel bridged tetrahydronaphthalene derivatives as potent T/L-type calcium channel blockers.

Actelion Pharmaceuticals

Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists.

Astrazeneca

Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol.

Pharmacokinetics

Optimization of ADME Properties for Sulfonamides Leading to the Discovery of a T-Type Calcium Channel Blocker, ABT-639.

Abbvie

Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys.

Merck Research Laboratories

Discovery of MK-1421, a Potent, Selective sstr3 Antagonist, as a Development Candidate for Type 2 Diabetes.

Merck Research Laboratories

Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment.

Jagiellonian University

Prediction of Thorough QT study results using action potential simulations based on ion channel screens.

University of Oxford

Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.

University of Oxford

Vascular L-type Ca²¿ channel blocking activity of sulfur-containing indole alkaloids from Glycosmis petelotii.

Vietnam Academy of Science and Technology

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

Glaxosmithkline

Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa.

Astrazeneca

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

Universidad Complutense

Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.

Merck

Antagonism of L-type Ca2+ channels CaV1.3 and CaV1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics.

Northwestern University

Structure-activity relationship of N,N'-disubstituted pyrimidinetriones as Ca(V)1.3 calcium channel-selective antagonists for Parkinson's disease.

Northwestern University

Discovery of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]-4-(hydroxymethyl)-4-piperidyl]methyl]-3,5-dichloro-benzamide as a selective T-type calcium channel (Cav3.2) inhibitor.

Astrazeneca

Aminopiperidine sulfonamide Cav2.2 channel inhibitors for the treatment of chronic pain.

Merck Research Laboratories

1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia.

Merck Research Laboratories

MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats.

Merck Research Laboratories

Discovery of a highly potent, selective, and bioavailable soluble epoxide hydrolase inhibitor with excellent ex vivo target engagement.

Merck Research Laboratories

Selective optimization of side activities: another way for drug discovery.

Prestwick Chemical

From hit to lead. Analyzing structure-profile relationships.

Universities of Lille

Permanently charged chiral 1,4-dihydropyridines: molecular probes of L-type calcium channels. Synthesis and pharmacological characterization of methyl(omega-trimethylalkylammonium) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate iodide, calcium channel antagonists.

State University of New York

Cardiovascular characterization of pyrrolo[2,1-d][1,5]benzothiazepine derivatives binding selectively to the peripheral-type benzodiazepine receptor (PBR): from dual PBR affinity and calcium antagonist activity to novel and selective calcium entry blockers.

Universit£

Alpha- and beta-adrenoceptors: from the gene to the clinic. 2. Structure-activity relationships and therapeutic applications.

Smithkline Beecham Pharmaceuticals

Calcium entry blockers and activators: conformational and structural determinants of dihydropyrimidine calcium channel modulators.

Bristol-Myers Squibb Pharmaceutical Research Institute

A homologous series of permanently charged 1,4-dihydropyridines: novel probes designed to localize drug binding sites on ion channels.

State University of New York

Synthesis of 3-[(2,3-dihydro-1,1,3-trioxo-1,2-benzisothiazol-2-yl)alkyl] 1,4-dihydropyridine-3,5-dicarboxylate derivatives as calcium channel modulators.

Alter

Dihydropyrimidine calcium channel blockers: 2-heterosubstituted 4-aryl-1,4-dihydro-6-methyl-5-pyrimidinecarboxylic acid esters as potent mimics of dihydropyridines.

Squibb Institute For Medical Research

Synthesis of (aryloxy)alkylamines. 2. Novel imidazo-fused heterocycles with calcium channel blocking and local anesthetic activity.

Ortho Pharmaceutical

Diethyl 3,6-dihydro-2,4-dimethyl-2,6-methano-1,3-benzothiazocine-5,11- dicarboxylates as calcium entry antagonists: new conformationally restrained analogues of Hantzsch 1,4-dihydropyridines related to nitrendipine as probes for receptor-site conformation.

TBA

Design and synthesis of novel dihydropyridine alpha-1a antagonists.

Synaptic Pharmaceutical

Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.

Merck

Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted piperidines.

Merck Frosst Centre For Therapeutic Research

3-Substituted 3-(4-aryloxyaryl)-propanoic acids as GPR40 agonists.

Merck Research Laboratories

High concentration electrophysiology-based fragment screen: discovery of novel acid-sensing ion channel 3 (ASIC3) inhibitors.

Merck Research Laboratories

Pyridyl amides as potent inhibitors of T-type calcium channels.

Merck Research Laboratories

Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2.

Northwestern University

Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia.

Wyeth Research

Anthracene based compounds as new L-type Ca2+ channel blockers: design, synthesis, and full biological profile.

University of Padova

 

4-Biaryl-substituted dihydropyridines with an unusual antiperiplanar conformation

TBA

 

Phenyl-glycinol based NK₁ receptor antagonists — towards the minimum pharmacophore

TBA

 

Heterocyclic guanidines as calcium antagonists

TBA

 

CGS 27830, a potent nonpeptide endothelin receptor antagonist

TBA

Discovery of spirocyclic secondary amine-derived tertiary ureas as highly potent, selective and bioavailable soluble epoxide hydrolase inhibitors.

Merck Research Laboratories

Discovery of 1,4-substituted piperidines as potent and selective inhibitors of T-type calcium channels.

Merck Research Laboratories

Discovery of a novel class of benzazepinone Na(v)1.7 blockers: potential treatments for neuropathic pain.

Merck Research Laboratories

SAGE-718: A First-in-Class

Sage Therapeutics

Design and discovery of C2-fluoroalkyl iminothiazine dioxides as BACE inhibitors.

Merck

Discovery of Selective Inhibitors of Na

Siteone Therapeutics

Discovery of Clinical Candidate CHF-6366: A Novel Super-soft Dual Pharmacology Muscarinic Antagonist and ?

Chiesi Farmaceutici

Discovery and preclinical evaluations of JBD0131, a novel nitrodihydro-imidazooxazole anti-tuberculosis agent.

Wuxi Apptec

Discovery and preclinical profile of sudapyridine (WX-081), a novel anti-tuberculosis agent.

Wuxi Apptec

Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of

Ucb

Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.

Biogen

In Vitro and In Vivo Inhibition of the

University of North Carolina At Chapel Hill

Development of ProTx-II Analogues as Highly Selective Peptide Blockers of Na

Merck

Discovery of MK-8153, a Potent and Selective ROMK Inhibitor and Novel Diuretic/Natriuretic.

Merck

Invention of MK-8262, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor Backup to Anacetrapib with Best-in-Class Properties.

Merck

Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K? Immunomodulators.

Merck

Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.

Novartis Institutes For Biomedical Research

Discovery of the First Orally Available, Selective K

Praxis Precision Medicines

Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).

Sareum

Rational design, synthesis and testing of novel tricyclic topoisomerase inhibitors for the treatment of bacterial infections part 2.

Redx Anti-Infectives

Optimization of Versatile Oxindoles as Selective PI3K? Inhibitors.

Merck

Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.

University of Washington

Discovery and optimization of heteroaryl piperazines as potent and selective PI3K? inhibitors.

Merck

De novo design of a novel oxazolidinone analogue as a potent and selective alpha1A adrenergic receptor antagonist with high oral bioavailability.

Synaptic Pharmaceutical

Discovery of AZD2716: A Novel Secreted Phospholipase A

Astrazeneca

Discovery of MK-7145, an Oral Small Molecule ROMK Inhibitor for the Treatment of Hypertension and Heart Failure.

Merck Research Laboratories

Development of Chemical Entities Endowed with Potent Fast-Killing Properties against

Glaxosmithkline

Design and biological evaluation of non-peptide analogues of omega-conotoxin MVIIA.

Parke-Davis Neuroscience Research Centre

Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5.

Recordati

Synthesis and biological activity of substituted bis-(4-hydroxyphenyl)methanes as N-type calcium channel blockers.

Warner-Lambert

Lipophilic 4-isoxazolyl-1,4-dihydropyridines: synthesis and structure-activity relationships.

State University of New York

Potassium channel blocking 1,2-bis(aryl)ethane-1,2-diamines active as antiarrhythmic agents.

Astrazeneca

Design and Optimization of Sulfone Pyrrolidine Sulfonamide Antagonists of Transient Receptor Potential Vanilloid-4 with in Vivo Activity in a Pulmonary Edema Model.

TBA

New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine H

Universit£

The Development Process for Discovery and Clinical Advancement of Modern Antimalarials.

The Walter and Eliza Hall Institute of Medical Research

Functionalized 6-(Piperidin-1-yl)-8,9-Diphenyl Purines as Peripherally Restricted Inverse Agonists of the CB1 Receptor.

Rti International

Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.

Merck

Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 1. 2-(3, 5-di-tert-butyl-4-hydroxyphenyl)-3-(aminopropyl)thiazolidinones.

Chugai Pharmaceutical

The discovery and optimization of benzimidazoles as selective Na

Pfizer

Discovery of Orally Bioavailable and Liver-Targeted Hypoxia-Inducible Factor Prolyl Hydroxylase (HIF-PHD) Inhibitors for the Treatment of Anemia.

Merck

Design and evaluation of novel tetracyclic benzofurans as palm site allosteric inhibitors of HCV NS5B polymerase.

Merck

Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease.

Hoechst-Roussel Pharmaceuticals

Verapamil analogues with restricted molecular flexibility: synthesis and pharmacological evaluation of the four isomers of alpha-[1-[3-[N-[1- [2-(3,4-dimethoxyphenyl)ethyl]]-N-methylamino]cyclohexyl]]-alpha- isopropyl-3,4-dimethoxybenzene-acetonitrile.

Università

MICE models: superior to the HERG model in predicting Torsade de Pointes.

Chantest

Successful reduction of off-target hERG toxicity by structural modification of a T-type calcium channel blocker.

The Catholic University of Korea

Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives.

Solvay Duphar

Structure-activity relationships and discovery of a G protein biased ? opioid receptor ligand, [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine (TRV130), for the treatment of acute severe pain.

Trevena

Pyrrolo[2,1-c][1,4]benzothiazines: synthesis, structure-activity relationships, molecular modeling studies, and cardiovascular activity.

Università

Structure-activity relationships of diphenylpiperazine N-type calcium channel inhibitors.

Neuromed Pharmaceuticals

Polycyclic guanidine alkaloids from the marine sponge Crambe crambe and Ca++ channel blocker activity of crambescidin 816.

University of Brussels

Calcium channel antagonists discovered by a multidisciplinary approach.

Universit£

Optimization of Preclinical Metabolism for Somatostatin Receptor Subtype 5-Selective Antagonists.

Merck

Discovery and Pharmacology of a Novel Somatostatin Subtype 5 (SSTR5) Antagonist: Synergy with DPP-4 Inhibition.

Merck

Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and analogues.

University of Siena

Design of Selective sPLA

Astrazeneca

Synthesis and potential antipsychotic activity of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines.

Warner-Lambert

Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies.

Idorsia Pharmaceuticals

Discovery and evaluation of Ca

Idorsia Pharmaceuticals

Discovery and evaluation of Ca

Idorsia Pharmaceuticals

Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties.

Emory University

Discovery of Tetralones as Potent and Selective Inhibitors of Acyl-CoA:Diacylglycerol Acyltransferase 1.

Glaxosmithkline

Synthesis and biological activity of novel calcium channel blockers: 2,5-dihydro-4-methyl-2-phenyl-1,5-benzothiazepine-3-carboxylic acid esters and 2,5-dihydro-4-methyl-2-phenyl-1,5-benzodiazepine-3-carboxylic acid esters.

TBA

4-Isoxazolyl-1,4-dihydropyridines: biological, theoretical, and structural studies.

State University of New York

Neuroactive Steroids. 2. 3?-Hydroxy-3?-methyl-21-(4-cyano-1H-pyrazol-1'-yl)-19-nor-5?-pregnan-20-one (SAGE-217): A Clinical Next Generation Neuroactive Steroid Positive Allosteric Modulator of the (?-Aminobutyric Acid)

Sage Therapeutics

Discovery of N-(5-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (VU0424238): A Novel Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 5 Selected for Clinical Evaluation.

Vanderbilt University Institute of Imaging Science

Improvement of hERG-ROMK index of spirocyclic ROMK inhibitors through scaffold optimization and incorporation of novel pharmacophores.

Merck

Synthesis, Biological Evaluation, and Molecular Docking of 8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene Analogs: New Dual AChE Inhibitors as Potential Drugs for the Treatment of Alzheimer's Disease.

Yogi Vemana University

Phosphorylation of Capsaicinoid Derivatives Provides Highly Potent and Selective Inhibitors of the Transcription Factor STAT5b.

University of Leipzig

A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance.

The Johns Hopkins University