The first public molecular recognition database, BindingDB supports research, education and practice in drug discovery, pharmacology and related fields.

BindingDB contains 3.2M data for 1.4M Compounds and 11.4K Targets. Of those, 1.6M data for 756K Compounds and 4.8K Targets were curated by BindingDB curators. BindingDB is a FAIRsharing resource.

If BindingDB was of value to your research, please take a moment to donate to this nonprofit project. Your donation will let us provide you with more data and improved service.

To help with training and testing AI and other models, BindingDB downloads and search results now provide the publication date and BindingDB curation date of each measurement.

90 articles for W Yu


The following articles (labelled with PubMed ID or TBD) are for your review

PMID
Data
Article Title
Organization
Discovery of an Orally Selective Inhibitor of Signal Transducer and Activator of Transcription 3 Using Advanced Multiple Ligand Simultaneous Docking.EBI
The Ohio State University
Discovery of novel BTK inhibitors with carboxylic acids.EBI
Merck
Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.EBI
Abbvie
Iminoguanidines as Allosteric Inhibitors of the Iron-Regulated Heme Oxygenase (HemO) of Pseudomonas aeruginosa.EBI
University of Maryland
Structure-based design of N-substituted 1-hydroxy-4-sulfamoyl-2-naphthoates as selective inhibitors of the Mcl-1 oncoprotein.EBI
University of Maryland
Discovery of silyl proline containing HCV NS5A inhibitors with pan-genotype activity: SAR development.EBI
Merck Research Laboratories
Identification of A Novel Small-Molecule Binding Site of the Fat Mass and Obesity Associated Protein (FTO).EBI
Zhengzhou University
Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease.EBI
China Pharmaceutical University
Discovery of a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8.EBI
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.EBI
Merck Research Laboratories
Design, Synthesis, and Biological Evaluation of Novel Conformationally Constrained Inhibitors Targeting EGFR.EBI
Zhejiang University
Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design.EBI
The Ohio State University
Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.EBI
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.EBI
Emory University
III. Identification of novel CXCR3 chemokine receptor antagonists with a pyrazinyl-piperazinyl-piperidine scaffold.EBI
Merck Research Laboratories
Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade.EBI
University of Maryland
Structure and activity relationships of tartrate-based TACE inhibitors.EBI
Merck Research Laboratories
II. SAR studies of pyridyl-piperazinyl-piperidine derivatives as CXCR3 chemokine antagonists.EBI
Ligand Pharmaceuticals
Novel TNF-a converting enzyme (TACE) inhibitors as potential treatment for inflammatory diseases.EBI
Merck Research Laboratories
Biaryl substituted hydantoin compounds as TACE inhibitors.EBI
Merck Research Laboratories
Discovery and SAR of hydantoin TACE inhibitors.EBI
Merck Research Laboratories
The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.EBI
Schering-Plough Research Institute
Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel.EBI
Icagen
Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.EBI
University of Toronto
Transient receptor potential ankyrin 1 (TRPA1) modulators: Recent update and future perspective.EBI
Sichuan University
Deuterium Editing of Small Molecules: A Case Study on Antitumor Activity of 1,4-Benzodiazepine-2,5-dione Derivatives.EBI
Tsinghua University
Structure-Based Design and Discovery of a Potent and Cell-Active LC3A/B Covalent Inhibitor.EBI
Fudan University
Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.EBI
Shanghai University of Traditional Chinese Medicine
New Strategies for Responding to SARS-CoV-2: The Present and Future of Dual-Target Drugs.EBI
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.EBI
Hebei University
Aryl sulfonamido indane inhibitors of the Kv1.5 ion channel.EBI
Icagen
Discovery of cysteine-targeting covalent histone methyltransferase inhibitors.EBI
Nanjing Medical University
Identification of 1,4-Benzodiazepine-2,5-dione Derivatives as Potential Protein Synthesis Inhibitors with Highly Potent Anticancer Activity.EBI
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.EBI
Merck
Design and synthesis of tetracyclic nonpeptidic biaryl nitrile inhibitors of cathepsin K.EBI
Celera Genomics
Discovery of STAT3 and Histone Deacetylase (HDAC) Dual-Pathway Inhibitors for the Treatment of Solid Cancer.EBI
China Pharmaceutical University
Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2.EBI
China Pharmaceutical University
S3I-201 derivative incorporating naphthoquinone unit as effective STAT3 inhibitors: Design, synthesis and anti-gastric cancer evaluation.EBI
Zhejiang Chinese Medical University
Scaffold hopping from indoles to indazoles yields dual MCL-1/BCL-2 inhibitors from MCL-1 selective leads.EBI
University of Maryland
SAR towards indoline and 3-azaindoline classes of IDO1 inhibitors.EBI
Merck
Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.EBI
Merck
Discovery of IDO1 inhibitors containing a decahydroquinoline, decahydro-1,6-naphthyridine, or octahydro-1H-pyrrolo[3,2-c]pyridine scaffold.EBI
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.EBI
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.EBI
Zhengzhou University
Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.EBI
Merck
Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.EBI
Merck
Discovery of First-In-Class Potent and Selective Tropomyosin Receptor Kinase Degraders.EBI
Cullgen (Shanghai)
Carbamate and EBI
Merck
Discovery of bazedoxifene analogues targeting glycoprotein 130.EBI
China Pharmaceutical University
Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.EBI
Icahn School of Medicine At Mount Sinai
Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.EBI
Merck
Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.EBI
Merck
Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.EBI
Merck
Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.EBI
Merck
Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).EBI
Merck
New small molecule inhibitors of histone methyl transferase DOT1L with a nitrile as a non-traditional replacement for heavy halogen atoms.EBI
University College London
Discovery of novel pan-genotypic HCV NS5A inhibitors containing a novel tetracyclic core.EBI
Merck
Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.EBI
Merck
Discovery of arylamide-5-anilinoquinazoline-8-nitro derivatives as VEGFR-2 kinase inhibitors: Synthesis, in vitro biological evaluation and molecular docking.EBI
Yunnan University
Discovery of Selective Small Molecule Degraders of BRAF-V600E.EBI
Cullgen
The association between anti-tumor potency and structure-activity of protein-kinases inhibitors based on quinazoline molecular skeleton.EBI
University of South China
Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.EBI
Experimental Drug Development Centre
Structure-activity relationship studies of SETD8 inhibitors.EBI
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.EBI
Celera Genomics
Structure-based design and biological evaluation of inhibitors of the pseudomonas aeruginosa heme oxygenase (pa-HemO).EBI
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.EBI
University of Maryland
MK-8325: A silyl proline-containing NS5A inhibitor with pan-genotype activity for treatment of HCV.EBI
Merck
Development of a prodrug of hydantoin based TACE inhibitor.EBI
Merck
Fused bi-heteroaryl substituted hydantoin compounds as TACE inhibitors.EBI
Merck
Cereblon ligands and bifunctional compounds comprising the sameBDB
Arvinas Operations
ORAL COMPLEMENT FACTOR D INHIBITORSBDB
Biocryst Pharmaceuticals
2-hydroxycycloalkane-1-carbamoylBDB
Idorsia Pharmaceuticals
HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODSBDB
Pretzel Therapeutics
IMIDAZOPYRIDINE COMPOUNDS AND USE THEREOFBDB
Medshine Discovery
Inhibitors of RSV replication and applications thereofBDB
Georgia State University Research Foundation
CYP46A1 INHIBITORS AND METHODS OF USE THEREOFBDB
Sage Therapeutics
2,6-diamino-3,4-dihydropyrimidin-4-one derivatives and use thereof in therapyBDB
Thomas Helledays Stiftelse FÖR Medicinsk Forskning
Second generation GRP94-selective inhibitorsBDB
University of Kansas
Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agentsBDB
Xenon Pharmaceuticals
Cyclohexene compounds and use thereofBDB
Guangzhou Henovcom Bioscience
Flouro-naphthyl derivativesBDB
Hoffmann-La Roche
Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase.BDB
Uppsala University
Substituted piperidine compounds and their use as orexin receptor modulatorsBDB
Janssen Pharmaceutica
Diamino heterocyclic carboxamide compoundBDB
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 LRRKBDB
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.BDB
Merck Research Laboratories