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125 results for “small molecule inhibitor”

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zenodo40/100

Allosteric Modulation of YAP/TAZ-TEAD Interaction by Palmitoylation and Small Molecule Inhibitors

The tar file contains 3 directories, each of which contains all of the simulation input files (pdb, prmtop, inpcrd) and trajectory files (nc) for the simulations run. <ol><li>TEAD_Only: Simulations of the TEAD protein in the apo, inhibitor(inh)-bound, palmitate(plt)-bound, or palmitic acid(plm)-bound form </li><li>YAP-TEAD: Simulations of the YAP-TEAD heterodimer in the apo, inhibitor(inh)-bound, palmitate(plt)-bound, or palmitic acid(plm)-bound form </li><li>TAZ-TEAD: Simulations of the TAZ-TEAD heterodimer in the apo, inhibitor(inh)-bound, palmitate(plt)-bound, or palmitic acid(plm)-bound form </li></ol>

opencc-by-4.0Oct 2023View details →

zenodo40/100

Regulatory spine RS3 residue of protein kinases: a lipophilic bystander or a decisive element in the small-molecule kinase inhibitor binding?

Datasets related to publication:  Shevchenko E, Pantsar T: Regulatory spine RS3 residue of protein kinases: a lipophilic bystander or a decisive element in the small-molecule kinase inhibitor binding?. Biochem Soc Trans 28 February 2022; 50 (1): 633–648 https://doi.org/10.1042/bst20210837

opencc-by-4.0Dec 2021View details →

dryad40/100

Data from: Pleomorphic effects of three small-molecule inhibitors on transcription elongation by Mycobacterium tuberculosis RNA polymerase

Open the record for dataset details and reuse information.

publicOct 2025View details →

dryad36/100

Identification of a small molecule Tim-3 inhibitor to potentiate T cell-mediated antitumor immunotherapy in preclinical models

T cell immunoglobulin and mucin-containing molecule 3 (Tim-3), expressed in dysfunctional and exhausted T cells, has been widely acknowledged as a promising immune checkpoint target for tumor immunotherapy. Here, using a strategy combining virtual and functional screening, we identified a compound named ML-T7 that targets the FG-CC' cleft of Tim-3, a highly conserved binding site of phosphatidylserine (PtdSer) and carcinoembryonic antigen-related cell adhesion molecule 1 (CEACAM1). ML-T7 enhanced the survival and antitumor activity of primary CD8+ cytotoxic T lymphocytes (CTLs) and human chimeric antigen receptor (CAR) T cells and reduced their exhaustion in vitro and in vivo. In addition, ML-T7 promoted NK cells' killing activity and DC antigen-presenting capacity, consistent with the reported activity of Tim-3. Notably, ML-T7 strengthened DCs' functions through both Tim-3 and Tim-4, consistent with the hypothesis that Tim-4 contains a similar FG-CC' loop. Intraperitoneal dosing of ML-T7 showed comparable tumor inhibitory effects to Tim-3 blocking antibody. ML-T7 reduced syngeneic tumor progression in both wildtype and Tim-3 humanized mice and alleviated the immunosuppressive microenvironment. Furthermore, combined ML-T7 and anti-PD-1 therapy had greater therapeutic efficacy than monotherapy in mice, supporting further development of ML-T7 for tumor immunotherapy. Our study demonstrates a potential small molecule for selectively blocking Tim-3 and warrants further study.

opencc-zeroNov 2023View details →

zenodo36/100

Shutting Down Shigella Secretion: Characterizing Small Molecule Type Three Secretion System ATPase Inhibitors

Spa47 inhibition data from "Shutting Down Shigella Secretion: Characterizing Small Molecule Type Three Secretion System ATPase Inhibitors".

opencc-by-4.0Oct 2018View details →

dryad36/100

Data from: Small molecule inhibitor of tau self-association in a mouse model of tauopathy: A preventive study in P301L tau JNPL3 mice

Advances in tau biology and the difficulties of amyloid-directed immunotherapeutics have heightened interest in tau as a target for small molecule drug discovery for neurodegenerative diseases. Here, we evaluated OLX-07010, a small molecule inhibitor of tau self-association, for the prevention of tau aggregation. The primary endpoint of the study was statistically significant reduction of insoluble tau aggregates in treated JNPL3 mice compared with Vehicle-control mice. Secondary endpoints were dose-dependent reduction of insoluble tau aggregates, reduction of phosphorylated tau, and reduction of soluble tau. This study was performed in JNPL3 mice, which are representative of inherited forms of 4-repeat tauopathies with the P301L tau mutation (eg, progressive supranuclear palsy and frontotemporal dementia). The P301L mutation makes tau prone to aggregation; therefore, JNPL3 mice present a more challenging target than mouse models of human tau without mutations. JNPL3 mice were treated from 3 to 7 months of age with Vehicle, 30 mg/kg compound dose, or 40 mg/kg compound dose. Biochemical methods were used to evaluate self-associated tau, insoluble tau aggregates, total tau, and phosphorylated tau in the hindbrain, cortex, and hippocampus. The Vehicle group had higher levels of insoluble tau in the hindbrain than the Baseline group; treatment with 40 mg/kg compound dose prevented this increase. In the cortex, the levels of insoluble tau were similar in the Baseline and Vehicle groups, indicating that the pathological phenotype of these mice was beginning to emerge at the study endpoint and that there was a delay in the development of the phenotype of the model as originally characterized. No drug-related adverse effects were observed during the 4-month treatment period.

opencc-zeroJun 2023View details →

dryad36/100

Identification of a small molecule Tim-3 inhibitor to potentiate T cell-mediated antitumor immunotherapy in preclinical models

Open the record for dataset details and reuse information.

publicNov 2023View details →

dryad36/100

Data from: Small molecule inhibitor of tau self-association in a mouse model of tauopathy: A preventive study in P301L tau JNPL3 mice

Open the record for dataset details and reuse information.

publicJun 2023View details →

ClinicalTrials.gov32/100

Registry for Patients With Acquired Resistance to Small Molecule Kinase Inhibitors in Non-Small-Cell Lung Cancer

ClinicalTrials.gov study NCT00579683. IPD Sharing: Not stated. Countries: 1. Publications: 1.

restrictedIPD-UNDECIDEDFeb 2026View details →

ClinicalTrials.gov32/100

A Dose-Finding Study of Birabresib (MK-8628), a Small Molecule Inhibitor of the Bromodomain and Extra-Terminal (BET) Proteins, in Adults With Selected Advanced Solid Tumors (MK-8628-003)

ClinicalTrials.gov study NCT02259114. IPD Sharing: YES. Countries: 0. Publications: 2.

controlledIPD-YESFeb 2026View details →

zenodo28/100

Discovery of Novel small-molecule dual inhibitor targeting toll-like receptors 7 and 9

The data sets contained the MD simulation of TLR7-TIC10g and TLR9-TIC10g complexes.

opencc-by-4.0Mar 2024View details →

geo24/100

Identification of covalent small-molecule inhibitors of STING

GEO Series GSE113933. Mus musculus. 12 samples. Type: Expression profiling by high throughput sequencing.

openGEO-OpenMay 2018View details →

geo24/100

Rapid and synchronous chemical induction of replicative-like senescence via a small molecule inhibitor [bulk RNA-seq]

GEO Series GSE238252. Homo sapiens. 14 samples. Type: Expression profiling by high throughput sequencing.

openGEO-OpenApr 2024View details →

geo24/100

First in class small molecule inhibitor of oncogene AVIL in glioblastoma

GEO Series GSE268857. Homo sapiens. 2 samples. Type: Expression profiling by array.

openGEO-OpenNov 2025View details →

geo24/100

Development of RelB-Targeting Small Molecule Inhibitors of Non-canonical NF-kB Signaling with Antitumor Efficacy

GEO Series GSE288086. Homo sapiens. 9 samples. Type: Expression profiling by high throughput sequencing.

openGEO-OpenApr 2025View details →

geo24/100

Discovery and Pharmacological Characterization of JNJ-64619178, a Novel Small-Molecule Inhibitor of PRMT5 with Potent Antitumor Activity

GEO Series GSE215847. Homo sapiens. 6 samples. Type: Expression profiling by high throughput sequencing.

openGEO-OpenOct 2022View details →

geo24/100

Rapid induction and long-term self-renewal of primitive neural precursors from human embryonic stem cells by small molecule inhibitors

GEO Series GSE28595. Homo sapiens. 6 samples. Type: Expression profiling by array.

openGEO-OpenApr 2011View details →

geo24/100

Rapid and synchronous chemical induction of replicative-like senescence via a small molecule inhibitor [CUT&TAG]

GEO Series GSE238253. Homo sapiens. 6 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.

openGEO-OpenApr 2024View details →

geo24/100

Preventive Treatment with a CD73 Small Molecule Inhibitor Enhances Immune Surveillance in K-Ras Mutant Pancreatic Intraepithelial Neoplasia

GEO Series GSE273209. Mus musculus. 6 samples. Type: Expression profiling by high throughput sequencing; Other.

openGEO-OpenJul 2024View details →

geo24/100

Tumor cell-specific inhibition of MYC function using small molecule inhibitors of the HUWE1 ubiquitin ligase

GEO Series GSE59223. Homo sapiens. 22 samples. Type: Expression profiling by high throughput sequencing; Genome binding/occupancy profiling by high throughput sequencing.

openGEO-OpenOct 2014View details →

ScienceDex guides

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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.

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Allen Brain Atlas

Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.

allen-brain-atlas

neuroscienceopenDocumentation, web resources, and API references are available online.

Last verified 2026-04-30Open record

Annotated Behaviour and Observability Dataset (ABODe)

ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.

abode-home-cage

behavioral-neuroscienceopenThe DataShare record exposes download links for annotations, documentation, license text, and the zipped per-snippet data directory.

Last verified 2026-04-30Open record

DANDI Archive for NWB datasets

DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.

dandi-nwb

electrophysiologyopenPublished Dandiset metadata and archive endpoints are available through the production DANDI API.

Last verified 2026-04-30Open record

International Brain Laboratory public data

The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.

ibl

behavioral-neuroscienceopenPublic sessions can be searched and loaded from the IBL public data server through ONE.

Last verified 2026-04-29Open record

OpenNeuro

OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.

openneuro

neuroscienceopenPublished datasets are available on demand over the internet.

Last verified 2026-04-29Open record

Find research datasets worth reusing

Dataset results

Allosteric Modulation of YAP/TAZ-TEAD Interaction by Palmitoylation and Small Molecule Inhibitors

Regulatory spine RS3 residue of protein kinases: a lipophilic bystander or a decisive element in the small-molecule kinase inhibitor binding?

Data from: Pleomorphic effects of three small-molecule inhibitors on transcription elongation by <em>Mycobacterium tuberculosis</em> RNA polymerase

Identification of a small molecule Tim-3 inhibitor to potentiate T cell-mediated antitumor immunotherapy in preclinical models

Shutting Down Shigella Secretion: Characterizing Small Molecule Type Three Secretion System ATPase Inhibitors

Data from: Small molecule inhibitor of tau self-association in a mouse model of tauopathy: A preventive study in P301L tau JNPL3 mice

Identification of a small molecule Tim-3 inhibitor to potentiate T cell-mediated antitumor immunotherapy in preclinical models

Data from: Small molecule inhibitor of tau self-association in a mouse model of tauopathy: A preventive study in P301L tau JNPL3 mice

Registry for Patients With Acquired Resistance to Small Molecule Kinase Inhibitors in Non-Small-Cell Lung Cancer

A Dose-Finding Study of Birabresib (MK-8628), a Small Molecule Inhibitor of the Bromodomain and Extra-Terminal (BET) Proteins, in Adults With Selected Advanced Solid Tumors (MK-8628-003)

Discovery of Novel small-molecule dual inhibitor targeting toll-like receptors 7 and 9

Identification of covalent small-molecule inhibitors of STING

Rapid and synchronous chemical induction of replicative-like senescence via a small molecule inhibitor [bulk RNA-seq]

First in class small molecule inhibitor of oncogene AVIL in glioblastoma

Development of RelB-Targeting Small Molecule Inhibitors of Non-canonical NF-kB Signaling with Antitumor Efficacy

Discovery and Pharmacological Characterization of JNJ-64619178, a Novel Small-Molecule Inhibitor of PRMT5 with Potent Antitumor Activity

Rapid induction and long-term self-renewal of primitive neural precursors from human embryonic stem cells by small molecule inhibitors

Rapid and synchronous chemical induction of replicative-like senescence via a small molecule inhibitor [CUT&TAG]

Preventive Treatment with a CD73 Small Molecule Inhibitor Enhances Immune Surveillance in K-Ras Mutant Pancreatic Intraepithelial Neoplasia

Tumor cell-specific inhibition of MYC function using small molecule inhibitors of the HUWE1 ubiquitin ligase

Understand access before you commit

Allen Brain Atlas

Annotated Behaviour and Observability Dataset (ABODe)

DANDI Archive for NWB datasets

International Brain Laboratory public data

OpenNeuro