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125
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ShareScore release 0.9.0
Dataset results
125 results for “small molecule inhibitor”
Discovery of first-in-class reversible dual small molecule inhibitors against G9a and DNMTs with in vivo activity in hematological malignancies [RNA-Seq]
GEO Series GSE78930. Homo sapiens. 8 samples. Type: Expression profiling by high throughput sequencing.
HEK293T cells treated with a G9a small molecule inhibitor (UNC0638) or vehicle (DMSO), WIZ siRNA, G9a siRNA, or scrambled (control) siRNA
GEO Series GSE70914. Homo sapiens. 13 samples. Type: Expression profiling by array.
RNA sequencing of PTEN,Rb1 double knockout (DKO) mouse prostate organoids treated with vehicle or the small molecule mitochondrial pyruvate carrier (MPC) inhibitor UK5099
GEO Series GSE221021. Mus musculus. 6 samples. Type: Expression profiling by high throughput sequencing.
Treatment of multiple myeloma cells with EZH2 small molecule inhibitor
GEO Series GSE57478. Homo sapiens. 8 samples. Type: Expression profiling by high throughput sequencing.
Inhibition of CDK8/CDK19 with the small molecule inhibitor SEL120-34A in prostate cancer cell lines (3’ tag DGE)
GEO Series GSE269071. Homo sapiens. 14 samples. Type: Expression profiling by high throughput sequencing.
Blockade of oncogenic IkappaB kinase activity in ABC DLBCL by small molecule BET protein inhibitors
GEO Series GSE58791. Homo sapiens. 12 samples. Type: Expression profiling by array.
Discovery of small molecules as HPV16 E6 protein inhibitors against cervical cancer: An in silico and biophysical approach
<p>All the input files used for molecular docking and molecular dynamics simulations performed with HPV16 E6 protein to find potential inhibitors.</p> <p>Considering the critical role of high-risk HPV E6 protein in malignant tumorigenesis, it is widely recognized as a therapeutic target to develop novel and effective treatments for CC. In this work, we explored computational methods to discover new E6 inhibitors with potential interest in CC therapy. Using the E6 protein structure published in the Protein Data Bank (4XR8), molecular docking studies and molecular dynamics simulations were performed to predict the binding energy and orientation of synthetic compounds at the E6-p53 binding site. For experimental studies, the recombinant MBP-E6 protein was expressed from the <em>Escherichia coli </em>host, and affinity chromatography was applied to obtain highly pure protein. Circular dichroism confirmed that the target protein adopts an α-helical, random coil, and β-sheet structure. Finally, a thermal shift assay was used to access potential protein-ligand interactions.</p> <p> </p>
Computational Data - Role of Molecular Orientation: Comparison of Nitrogenous Aromatic Small Molecule Inhibitors for Area-Selective Atomic Layer Deposition
<p><span><span>Area-selective atomic layer deposition (AS-ALD) shows great potential for meeting the stringent demands of the semiconductor industry for precision nanopatterning. Small molecule inhibitors (SMIs) have recently proven to be a promising, industry-compatible means of achieving AS-ALD. In this work, we compare three nitrogenous aromatic SMIs – aniline, pyrrole, and pyridine – for their ability to block Al</span></span><sub><span><span>2</span></span></sub><span><span>O</span></span><sub><span><span>3</span></span></sub><span><span> ALD on copper with (CuO</span></span><sub><span><span>x</span></span></sub><span><span>) and without (Cu) a native oxide. We find that pyrrole and aniline perform much better as inhibitors than does pyridine. Furthermore, when redosed on copper before every ALD cycle in an ABC scheme, pyrrole and aniline provide outstanding inhibition, facilitating the selective deposition of over 11 nm of Al</span></span><sub><span><span>2</span></span></sub><span><span>O</span></span><sub><span><span>3</span></span></sub><span><span> on an SiO</span></span><sub><span><span>2</span></span></sub><span><span> growth surface in the presence of Cu with 99.9% selectivity. By combining both theory and experiment, we provide new understanding of the mechanisms by which selectivity is prolonged and lost. First, we show that the CuO</span></span><sub><span><span>x</span></span></sub><span><span> surface is inherently more reactive than the Cu surface, leading to an eventual loss of selectivity, even when the inhibitor is redosed. Second, we find that whereas pyrrole and aniline adsorb in a planar bonding orientation, pyridine binds upright at the copper surface and we propose that the upright orientation is the origin of the ineffective inhibition of pyridine. Finally, we observe that redosing of aniline protects the copper surface from undesired oxidation, whereas the redosing of pyridine does not. As such, we posit that a likely benefit of redosing is preventing oxidation and thus reducing reactive site formation during ALD. Through this work, we demonstrate the capability of nitrogenous aromatics to serve as SMIs for AS-ALD, and we contribute valuable insights regarding the impact of ALD process parameters on selectivity. </span></span></p>
Novel Small Molecule EBNA1 Inhibitor, VK 2019, in Patients With Epstein Barr Virus (EBV)-Positive Nasopharyngeal Cancer (NPC) and Other Epstein-Barr Virus (EBV)-Associated Cancers, With Pharmacokineti
ClinicalTrials.gov study NCT04925544. IPD Sharing: NO. Countries: 1. Publications: 0.
Safety Study of SGX523, a Small Molecule Met Inhibitor, to Treat Solid Tumors
ClinicalTrials.gov study NCT00606879. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Mechanism Exploration of Anti-HER-2 Small-molecule Tyrosine Kinase Inhibitor-related Diarrhea and Establishment of Prevention and Treatment Model(Measure)
ClinicalTrials.gov study NCT05773391. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Safety Study of SGX523, a Small Molecule Met Inhibitor, to Treat Solid Tumors
ClinicalTrials.gov study NCT00607399. IPD Sharing: Not stated. Countries: 1. Publications: 0.
An Open-label Phase I Study of Orally Available Novel Small-molecule Fibroblast Growth Factor Receptors (FGFR) 1,2,3 and 4 Inhibitor, ASP5878 at Single and Multiple Doses in Patients With Solid Tumors
ClinicalTrials.gov study NCT02038673. IPD Sharing: YES. Countries: 4. Publications: 0.
Nal-IRI/5-FU/LV Chemotherapy Combined With PD-L1 Inhibitor and Multi-target Anti-angiogenic Small Molecule±SBRT as Second-line Therapy in Metastatic Pancreatic Cancer Patients
ClinicalTrials.gov study NCT06662006. IPD Sharing: NO. Countries: 1. Publications: 0.
Rapid and synchronous chemical induction of replicative-like senescence via a small molecule inhibitor [Ribo-seq]
GEO Series GSE238251. Homo sapiens. 18 samples. Type: Expression profiling by high throughput sequencing; Other.
Transcriptional changes in experimentally-induced basal to squamous cell carcinoma transition (BST) upon treatment with small molecule inhibitors [ASZ_RNAseq_inhibitor]
GEO Series GSE166596. Mus musculus. 8 samples. Type: Expression profiling by high throughput sequencing.
Identification and Validation of Small Molecule Inhibitors Targeting FGFR through Molecular Docking-Based Screening
GEO Series GSE267868. Homo sapiens. 8 samples. Type: Expression profiling by high throughput sequencing.
High-throughput small molecule screen identifies inhibitors of aberrant chromatin accessibility
GEO Series GSE61735. Homo sapiens. 2 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Small molecule inhibitors of fungal ∆(9) fatty acid desaturase as antifungal agent against Candida auris
GEO Series GSE267057. Candida albicans SC5314; Candidozyma auris. 24 samples. Type: Expression profiling by high throughput sequencing; Other.
Niche-based screening identifies small-molecule inhibitors of leukemia stem cells
GEO Series GSE51033. Mus musculus. 7 samples. Type: Expression profiling by array.
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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.
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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.
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.
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.