PMID
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Article Title
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Discovery of an Orally Selective Inhibitor of Signal Transducer and Activator of Transcription 3 Using Advanced Multiple Ligand Simultaneous Docking.

The Ohio State University
Discovery of novel BTK inhibitors with carboxylic acids.

Merck
Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.

Abbvie
Iminoguanidines as Allosteric Inhibitors of the Iron-Regulated Heme Oxygenase (HemO) of Pseudomonas aeruginosa.

University of Maryland
Structure-based design of N-substituted 1-hydroxy-4-sulfamoyl-2-naphthoates as selective inhibitors of the Mcl-1 oncoprotein.

University of Maryland
Discovery of silyl proline containing HCV NS5A inhibitors with pan-genotype activity: SAR development.

Merck Research Laboratories
Identification of A Novel Small-Molecule Binding Site of the Fat Mass and Obesity Associated Protein (FTO).

Zhengzhou University
Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease.

China Pharmaceutical University
Discovery of a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8.

University of North Carolina at Chapel Hill
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.

Merck Research Laboratories
Design, Synthesis, and Biological Evaluation of Novel Conformationally Constrained Inhibitors Targeting EGFR.

Zhejiang University
Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design.

The Ohio State University
Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.

Entremed
Synthesis, fluorine-18 radiolabeling, and in vitro characterization of 1-iodophenyl-N-methyl-N-fluoroalkyl-3-isoquinoline carboxamide derivatives as potential PET radioligands for imaging peripheral benzodiazepine receptor.

Emory University
III. Identification of novel CXCR3 chemokine receptor antagonists with a pyrazinyl-piperazinyl-piperidine scaffold.

Merck Research Laboratories
Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade.

University of Maryland
Structure and activity relationships of tartrate-based TACE inhibitors.

Merck Research Laboratories
II. SAR studies of pyridyl-piperazinyl-piperidine derivatives as CXCR3 chemokine antagonists.

Ligand Pharmaceuticals
Novel TNF-a converting enzyme (TACE) inhibitors as potential treatment for inflammatory diseases.

Merck Research Laboratories
Biaryl substituted hydantoin compounds as TACE inhibitors.

Merck Research Laboratories
Discovery and SAR of hydantoin TACE inhibitors.

Merck Research Laboratories
The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.

Schering-Plough Research Institute
Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel.

Icagen
Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.

University of Toronto
Transient receptor potential ankyrin 1 (TRPA1) modulators: Recent update and future perspective.

Sichuan University
Deuterium Editing of Small Molecules: A Case Study on Antitumor Activity of 1,4-Benzodiazepine-2,5-dione Derivatives.

Tsinghua University
Structure-Based Design and Discovery of a Potent and Cell-Active LC3A/B Covalent Inhibitor.

Fudan University
Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.

Shanghai University of Traditional Chinese Medicine
New Strategies for Responding to SARS-CoV-2: The Present and Future of Dual-Target Drugs.

China Pharmaceutical University
Design, synthesis and biological evaluation of dual Topo II/HDAC inhibitors bearing pyrimido[5,4-b]indole and pyrazolo[3,4-d]pyrimidine motifs.

Hebei University
Aryl sulfonamido indane inhibitors of the Kv1.5 ion channel.

Icagen
Discovery of cysteine-targeting covalent histone methyltransferase inhibitors.

Nanjing Medical University
Identification of 1,4-Benzodiazepine-2,5-dione Derivatives as Potential Protein Synthesis Inhibitors with Highly Potent Anticancer Activity.

Tsinghua University
Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.

Merck
Design and synthesis of tetracyclic nonpeptidic biaryl nitrile inhibitors of cathepsin K.

Celera Genomics
Discovery of STAT3 and Histone Deacetylase (HDAC) Dual-Pathway Inhibitors for the Treatment of Solid Cancer.

China Pharmaceutical University
Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2.

China Pharmaceutical University
S3I-201 derivative incorporating naphthoquinone unit as effective STAT3 inhibitors: Design, synthesis and anti-gastric cancer evaluation.

Zhejiang Chinese Medical University
Scaffold hopping from indoles to indazoles yields dual MCL-1/BCL-2 inhibitors from MCL-1 selective leads.

University of Maryland
SAR towards indoline and 3-azaindoline classes of IDO1 inhibitors.

Merck
Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.

Merck
Discovery of IDO1 inhibitors containing a decahydroquinoline, decahydro-1,6-naphthyridine, or octahydro-1H-pyrrolo[3,2-c]pyridine scaffold.

Merck
Synthesis and biological evaluation of 4-(pyridin-4-oxy)-3-(3,3-difluorocyclobutyl)-pyrazole derivatives as novel potent transforming growth factor-β type 1 receptor inhibitors.

China Pharmaceutical University
Discovery of Dosimertinib, a Highly Potent, Selective, and Orally Efficacious Deuterated EGFR Targeting Clinical Candidate for the Treatment of Non-Small-Cell Lung Cancer.

Zhengzhou University
Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.

Merck
Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.

Merck
Discovery of First-In-Class Potent and Selective Tropomyosin Receptor Kinase Degraders.

Cullgen (Shanghai)
Carbamate and

Merck
Discovery of bazedoxifene analogues targeting glycoprotein 130.

China Pharmaceutical University
Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.

Icahn School of Medicine At Mount Sinai
Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.

Merck
Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.

Merck
Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.

Merck
Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.

Merck
Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).

Merck
New small molecule inhibitors of histone methyl transferase DOT1L with a nitrile as a non-traditional replacement for heavy halogen atoms.

University College London
Discovery of novel pan-genotypic HCV NS5A inhibitors containing a novel tetracyclic core.

Merck
Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.

Merck
Discovery of arylamide-5-anilinoquinazoline-8-nitro derivatives as VEGFR-2 kinase inhibitors: Synthesis, in vitro biological evaluation and molecular docking.

Yunnan University
Discovery of Selective Small Molecule Degraders of BRAF-V600E.

Cullgen
The association between anti-tumor potency and structure-activity of protein-kinases inhibitors based on quinazoline molecular skeleton.

University of South China
Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.

Experimental Drug Development Centre
Structure-activity relationship studies of SETD8 inhibitors.

Icahn School of Medicine At Mount Sinai
Identification of metabolites of the tryptase inhibitor CRA-9249: observation of a metabolite derived from an unexpected hydroxylation pathway.

Celera Genomics
Structure-based design and biological evaluation of inhibitors of the pseudomonas aeruginosa heme oxygenase (pa-HemO).

University of Maryland
Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.

University of Maryland
MK-8325: A silyl proline-containing NS5A inhibitor with pan-genotype activity for treatment of HCV.

Merck
Development of a prodrug of hydantoin based TACE inhibitor.

Merck
Fused bi-heteroaryl substituted hydantoin compounds as TACE inhibitors.

Merck
Cereblon ligands and bifunctional compounds comprising the same

Arvinas Operations
ORAL COMPLEMENT FACTOR D INHIBITORS

Biocryst Pharmaceuticals
2-hydroxycycloalkane-1-carbamoyl

Idorsia Pharmaceuticals
HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS

Pretzel Therapeutics
IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOF

Medshine Discovery
Inhibitors of RSV replication and applications thereof

Georgia State University Research Foundation
CYP46A1 INHIBITORS AND METHODS OF USE THEREOF

Sage Therapeutics
2,6-diamino-3,4-dihydropyrimidin-4-one derivatives and use thereof in therapy

Thomas Helledays Stiftelse FÖR Medicinsk Forskning
Second generation GRP94-selective inhibitors

University of Kansas
Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents

Xenon Pharmaceuticals
Cyclohexene compounds and use thereof

Guangzhou Henovcom Bioscience
Flouro-naphthyl derivatives

Hoffmann-La Roche
Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase.

Uppsala University
Substituted piperidine compounds and their use as orexin receptor modulators

Janssen Pharmaceutica
Diamino heterocyclic carboxamide compound

Astellas Pharma
Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK

Medical Research Council Technology
Synthesis and biological evaluation in vitro of selective, high affinity peptide antagonists of human melanin-concentrating hormone action at human melanin-concentrating hormone receptor 1.

Merck Research Laboratories