DataSalon

Discover quality datasets for AI training — aggregated from 40+ platforms, curated by AI.

ProductSearch Datasets Browse Topics Rankings Community API / MCP

ResourcesDocumentation Blog Changelog Status

LegalPrivacy Policy Terms of Service Cookie Policy

All Categories

💊

Pharmacology & Drug Discovery

Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data

627 datasets

M9101: Aurora A PROTAC Degrader Potency and Selectivity Data

A dataset from 2026 by Yulin Mao, shared on figshare, describing the discovery of M9101, a potent and selective Aurora A PROTAC degrader. The 3.3 MB XLSX file likely contains experimental results, including a DC50 value of 2.3 nM in MD-MBA-231 cells and selectivity data from global proteomic analysis.

TabularExcelKinase InhibitorsPharmacologyDrug DiscoveryProteolysis Targeting ChimerasAurora A+1

0 views

Pharmacology & Drug Discovery

M9101: Aurora A PROTAC Degrader Bioactivity and Selectivity Data

M9101 is a potent Aurora A PROTAC degrader with a DC50 value of 2.3 nM in MD-MBA-231 cells. The dataset, shared by Yulin Mao on figshare in May 2026, presents results from a global proteomic analysis demonstrating the compound's exceptional selectivity and in vivo activity. It provides a chemical tool for probing the noncatalytic biology of the kinase.

TabularKinase InhibitorsBioactivity DataDrug DiscoveryProteolysis Targeting ChimerasAurora A+1

0 views

Pharmacology & Drug Discovery

M9101: Aurora A PROTAC Degrader Potency and Selectivity Data

A chemical biology dataset from figshare details the discovery of M9101, a potent and selective Aurora A PROTAC degrader. The dataset, authored by Yulin Mao and last updated in May 2026, includes potency measurements such as a DC50 of 2.3 nM in MD-MBA-231 cells and selectivity data from global proteomic analysis.

TabularChemical BiologyDrug DiscoveryProteolysis Targeting ChimerasAurora A Kinase+1

0 views

Pharmacology & Drug Discovery

Novel Nitrogen-Containing Fused Heterocyclic Cyclooxygenase Inhibitors

Li He reports a dataset on figshare containing structural and biological activity data for novel nitrogen-containing fused heterocycles designed as dual COX-1/2 inhibitors. The data includes in vitro IC50 values for compounds 19, 39, 70, and 73, which range from 17.4–31.1 nM for COX-2 and 26.4–43.8 nM for COX-1, and in vivo results including a 12.4% oral bioavailability for compound 73 in rats. The dataset was last updated on May 7, 2026.

TabularPreclinical DataBenchmarkPharmacologyDrug DiscoveryMolecular ModelingCyclooxygenase Inhibitors+1

0 views

Pharmacology & Drug Discovery

Novel Nitrogen-Containing Fused Heterocyclic Cyclooxygenase Inhibitors

Four novel nitrogen-containing fused heterocycles were identified as potent dual COX-1/2 inhibitors, surpassing the reference drug celecoxib in vitro. The dataset includes promising preclinical candidates validated by in vivo studies showing antinociceptive and antiedema efficacy. It was authored by Li He and last updated on figshare in May 2026.

TabularBenchmarkPharmacologyDrug DiscoveryMolecular StructuresCyclooxygenase Inhibitors+1

0 views

Pharmacology & Drug Discovery

Novel Nitrogen-Containing Fused Heterocyclic Cyclooxygenase Inhibitors

A dataset from figshare describes the discovery of novel nitrogen-containing fused heterocycles as potent dual cyclooxygenase (COX) inhibitors. The data includes in silico and in vivo results for compounds 19, 39, 70, and 73, which showed IC50 values ranging from 17.4–31.1 nM for COX-2 and 26.4–43.8 nM for COX-1, surpassing the reference drug celecoxib. The dataset was last updated on 2026-05-07.

TabularBenchmarkPharmacologyDrug DiscoveryMolecular Modeling+1

0 views

Pharmacology & Drug Discovery

Novel Cyclooxygenase Inhibitors: Molecular Structures and Biological Activity Data

A 2026 dataset from figshare by Li He presents molecular structures and biological activity data for novel nitrogen-containing fused heterocyclic compounds. The data includes IC50 values for COX-1 and COX-2 inhibition, in vivo antinociceptive and antiedema efficacy, and oral bioavailability results from rat studies. The dataset is shared under a CC-BY-NC-4.0 license.

TabularPreclinical DataBenchmarkPharmacologyDrug DiscoveryMolecular Modeling+1

0 views

Pharmacology & Drug Discovery

River Surface Water Acute Toxicity Monitoring After Sewer Work, Montreal 2016

Montreal river water samples collected in spring 2016 to assess acute toxicity several months after wastewater discharge from work on the Southeast Interceptor sewer. The dataset likely contains toxicity measurements from surface water monitoring. It was published by the Government and Municipalities of Québec under a CC-BY-4.0 license.

TabularCSVExcelEnvironmental monitoringWastewaterWater QualityRiver WaterToxicity+1

0 views

Pharmacology & Drug Discovery

Sediment Quality Monitoring After a Spill in Sorel Islands Delta, November 2015

A sampling program by the Government and Municipalities of Québec assessed the effects of a spill on sediment quality. It compared analysis results from samples taken before, during, and after the spill near overflow outlets, fish habitats, and downstream deposition zones. The dataset was last updated on April 17, 2026.

TabularCSVExcelEnvironmental monitoringSediment QualitySpill ImpactPhysico-chemicalToxicity+1

0 views

Pharmacology & Drug Discovery

Proteotoxic Stress Bioreporter Data for Mechanism-Informed Antibiotic Discovery

A 21.3 KB Excel dataset from figshare details a novel bioreporter for antibiotic discovery. Julian Schubert developed the P_clpE-lux bioreporter to signal proteotoxic stress in Bacillus subtilis, enabling high-throughput screening. The dataset, last updated in May 2026, consolidates validation results and identifies antibacterial agents from natural product extracts.

TabularExcelHigh Throughput ScreeningAntibiotic DiscoveryHealthcarePharmacologyProteotoxic StressBioreporter+1

0 views

Pharmacology & Drug Discovery

Bupivacaine Analogue Toxicity and Pharmacokinetics in Mice and Guinea Pigs

Three spirocyclic analogues of the local anesthetic bupivacaine demonstrated 1.3-, 2.2-, and 5.0-fold increases in lethal dose in mice. This dataset, uploaded by Alexander A. Kirichok to figshare in 2026, contains results from animal studies and pharmacokinetic analysis comparing the toxicity and tissue affinity of these drug candidates.

TabularCSVAnimal StudiesPharmacologyDrug DiscoveryLocal AnestheticsToxicity+1

0 views

Pharmacology & Drug Discovery

LRH-1/PLIN5 Axis in Diabetic Podocyte Injury: Molecular Study Data

Qian Guan's research article from 2026 investigates the role of the liver receptor homolog-1 (LRH-1) and perilipin 5 (PLIN5) pathway in diabetic kidney disease. The study uses data from db/db diabetic mice and cultured podocytes to show how activating this axis mitigates lipid accumulation and renal injury. It also identifies chebulinic acid as a novel natural-product agonist for PLIN5 through virtual screening.

TextMouse ModelPharmacology TargetDiabetic Kidney DiseaseLipid metabolismHealthcarePodocyte Lipotoxicity+1

0 views

Pharmacology & Drug Discovery

Nemotron Content VISafe V1: 3,212 Vietnamese AI Safety Probes

3,212 text probes in Vietnamese for evaluating AI model safety across categories like jailbreak, toxicity, misinformation, and Vietnam-specific political sensitivity. The dataset combines translated probes from established English benchmarks with Vietnamese-native content and was created by NVIDIA. The dataset page was last updated on 2026-06-30.

TextPrompt InjectionAi SafetyBenchmarkToxicity ClassificationVietnamese LanguageJailbreak Detection+1

0 views

Pharmacology & Drug Discovery

Predicted Bioactivity of Food Compounds Against BACE1 for Alzheimer's Disease

A dataset of 8,453 food-derived molecules screened for potential inhibitory activity against the BACE1 enzyme, a target for Alzheimer's disease therapy. The data was generated using a validated 6-parameter QSAR model and molecular docking studies, resulting in the identification of a primary hit compound. The dataset was created by Nobendu Mukerjee and last updated in May 2026.

TabularAudioQsar ModelingAlzheimers DiseaseHealthcareDrug DiscoveryFood CompoundsComputational Chemistry+1

0 views

Pharmacology & Drug Discovery

Table 3: Predicted Bioactivity of 8,453 Food Compounds for BACE1 Inhibition

A computational pharmacology dataset from figshare, last updated in May 2026. It contains predicted bioactivity data for 8,453 food-derived molecules screened as potential inhibitors of the BACE1 enzyme, a target for Alzheimer's disease therapy. The dataset was generated by author Nobendu Mukerjee using QSAR modeling and virtual screening of an initial database of 26,467 food compounds.

TabularAudioExcelQsarAlzheimers DiseaseHealthcareDrug DiscoveryFood CompoundsComputational Chemistry+1

0 views

Pharmacology & Drug Discovery

Table 2: Predicted Bioactivity of Food Compounds for BACE1 Inhibition

8,453 food compounds were screened using a QSAR model to predict their bioactivity against the BACE1 enzyme, a target for Alzheimer's disease. The dataset, authored by Nobendu Mukerjee and updated in May 2026, includes predicted pKi values and identifies a top candidate molecule. It was generated through ligand-based and target-based drug design approaches, including virtual screening and molecular docking.

TabularAudioExcelQsarAlzheimers DiseaseVirtual ScreeningHealthcareDrug DiscoveryFood Compounds+1

0 views

Pharmacology & Drug Discovery

Table_1_RETRACTED: Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer

A dataset of 8,453 food-derived molecules screened for potential inhibitory activity against the BACE1 enzyme, a target for Alzheimer's disease therapy. The data was generated by Nobendu Mukerjee using a QSAR model built from 552 molecules and virtual screening of a larger food compound database, with results last updated in May 2026. It includes predicted binding affinity (pKi) values and identifies a top candidate molecule.

TabularAudioExcelQsar ModelAlzheimers DiseaseVirtual ScreeningHealthcareDrug DiscoveryFood Compounds+1

0 views

Pharmacology & Drug Discovery

Scoping Review of Imatinib-Induced Testicular Toxicity and Male Fertility Impairment

A scoping review synthesizing preclinical and clinical evidence on the gonadotoxic effects of the drug imatinib in males. The review, authored by Xia Ji and published on figshare in 2026, includes 20 studies published between 2003 and 2025. It examines mechanisms, dose- and age-dependent susceptibility, and the reversibility of testicular injury.

TextHealthcarePharmacologyImatinibScoping reviewMale FertilityDrug Toxicity+1

0 views

Pharmacology & Drug Discovery

Data Sheet 1_Exploring the molecular mechanism of Coptis-cinnamon in combating gastric can

16 active components and 499 targets of the Coptis-Cinnamon (HL-RG) pair were identified, intersecting with 55 common targets from 3,194 gastric cancer-related genes. The research, authored by Zhao-zhao Wang and uploaded to figshare in May 2026, includes molecular docking, enrichment analyses, and in vitro experiments on AGS and HGC-27 cells. Results indicate the herbal pair inhibits gastric cancer cell proliferation, migration, and invasion via the MAPK/ERK pathway.

TextMolecular DockingNetwork PharmacologyTraditional Chinese MedicineGastric CancerHealthcareMapk Pathway+1

0 views

Pharmacology & Drug Discovery

N5: Tetrahydro-β-Carboline Mcl-1 Inhibitor Data

Dong-Yuan Ning published data on a novel tetrahydro-β-carboline-derived Mcl-1 inhibitor, designated N5, on figshare in May 2026. The dataset likely contains experimental results for the compound N5 and its hydrochloride N5Y, including binding affinity, selectivity, ADMET properties, and in vivo efficacy. The data describes a compound with antitumor activity and capability to overcome cisplatin resistance in ovarian cancer models.

TabularCSVPharmacologyMcl 1 InhibitorDrug DiscoveryCancer Resistance+1

0 views

PreviousPage 7 of 31Next

Pharmacology & Drug Discovery Datasets | DataSalon