These excel spreadsheets contains the resultant data from inhibition assays with human Iodothyronine Deiodinase Types 1, 2, and 3 screened against the ToxCast Phase 1_v2, Phase 2, and e1k chemical libraries, as well as a few additional chemicals used in assay development. Over 1,800 chemicals were tested in total. It contains the list of chemicals tested and the median, minimum, and maximum inhibition for each chemical screened at 200 µM. Chemicals that gave greater than 50% inhibition were screened in concentration-response mode, and the median, min, max inhibition at each concentration for those chemicals are included. A model inhibitor (propylthiouracil or xanthohumol) was used in each plate as a positive control and the concentration-response data for those curves are also included. This dataset is associated with the following publication: Olker, J., J. Korte, J. Denny, P. Hartig, M. Cardon, C. Knutsen, P. Kent, J. Christensen, S. Degitz, and M. Hornung. Screening the ToxCast Phase 1, Phase 2, and e1k Chemical Libraries for Inhibitors of Iodothyronine Deiodinases. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 168(2): 430-442, (2019).

Data set includes optimized assay parameters and kinetic characterization for xenopus laevis deiodinase type 3 enzyme, and inhibition activity of 352 ToxCast chemicals against this enzyme. This dataset is associated with the following publication: Mayasich, S., J. Korte, J. Denny, P. Hartig, J. Olker, P. Degoey, J. O'Flanagan, S. Degitz, and M. Hornung. Xenopus laevis and human type 3 iodothyronine deiodinase enzyme cross-species sensitivity to inhibition by ToxCast chemicals. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 73: 105141, (2021).

High-throughput screening for potential thyroid-disrupting chemicals requires a system of assays to capture multiple molecular-initiating events (MIEs) that converge on perturbed thyroid hormone (TH) homeostasis. Screening for MIEs specific to TH-disrupting pathways is limited in the U.S. Environmental Protection Agency ToxCast screening assay portfolio. To fill 1 critical screening gap, the Amplex UltraRed-thyroperoxidase (AUR-TPO) assay was developed to identify chemicals that inhibit TPO, as decreased TPO activity reduces TH synthesis. The ToxCast phase I and II chemical libraries, comprised of 1074 unique chemicals, were initially screened using a single, high concentration to identify potential TPO inhibitors. Chemicals positive in the single-concentration screen were retested in concentration-response. Due to high false-positive rates typically observed with loss-of-signal assays such as AUR-TPO, we also employed 2 additional assays in parallel to identify possible sources of nonspecific assay signal loss, enabling stratification of roughly 300 putative TPO inhibitors based upon selective AUR-TPO activity. A cell-free luciferase inhibition assay was used to identify nonspecific enzyme inhibition among the putative TPO inhibitors, and a cytotoxicity assay using a human cell line was used to estimate the cellular tolerance limit. Additionally, the TPO inhibition activities of 150 chemicals were compared between the AUR-TPO and an orthogonal peroxidase oxidation assay using guaiacol as a substrate to confirm the activity profiles of putative TPO inhibitors. This effort represents the most extensive TPO inhibition screening campaign to date and illustrates a tiered screening approach that focuses resources, maximizes assay throughput, and reduces animal use. This dataset is associated with the following publication: Paul-Friedman, K., E.D. Watt , M.W. Hornung , J.M. Hedge , R.S. Judson , K.M. Crofton , K.A. Houck , and S.O. Simmons. (TOXICOLOGICAL SCIENCES) Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors within the ToxCast Phase I and II Chemical Libraries. TOXICOLOGICAL SCIENCES. Society of Toxicology, 1-59, (2016).

Abbreviations and data for manuscript Figures in the main text and supplemental. This dataset is associated with the following publication: Stoker, T., J. Want, A. Murr, J. Bailey, and A.R. Buckalew. High-Throughput Screening of ToxCast PFAS Chemical Library for Potential Inhibitors of the Human Sodium Iodide Symporter. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, USA, 36(3): 380-389, (2023).

Dataset for "Combining in vitro and in silico New Approach Methods to investigate type 3 iodothyronine deiodinase chemical inhibition across species". This dataset is associated with the following publication: Mayasich, S., M. Goldsmith, K. Mattingly, and C. Lalone. Combining In Vitro and In Silico New Approach Methods to Investigate Type 3 Iodothyronine Deiodinase Chemical Inhibition Across Species. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 42(5): 1032-1048, (2023).

This excel file contains 7 tabs, each tabs contains the data for one specific figure in the paper. Description of the data and column names is also provided in each tab. This dataset is associated with the following publication: Wang, J., D. Hallinger, A. Murr, A. Buckalew, S. Simmons, S. Laws, and T. Stoker. High-Throughput Screening and Quantitative Chemical Ranking for Sodium Iodide Symporter Inhibitors in ToxCast Phase 1 Chemical Library. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 52(9): 5417-5426, (2018).

This excel file contains the resultant data from a study on iodotyrosine deiodinase in the model amphibian species, Xenopus laevis. These data include: tadpole growth and development, thyroid hormones in plasma and glands, and expression of thyroid-relevant genes. The initial worksheet tab that provides metadata for each dataset included in the other worksheets that make up the file. This dataset is associated with the following publication: Olker, J., J. Haselman, P. Kosian, K. Donnay, J. Korte, C. Blanksma, M. Hornung, and S. Degitz. Evaluating iodide recycling inhibition as a novel molecular initiating event for thyroid axis disruption in amphibians. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 166(2): 318-331, (2018).

Data pertaining to a NIS-expressing cell line, hNIS-HEK293T-EPA, and its screening capabilities for determining inhibitors of NIS-mediated iodide uptake. This dataset is associated with the following publication: Hallinger, D., A. Murr, A. Buckalew, S. Simmons, T. Stoker, and S. Laws. Development of a Screening Approach to Detect Thyroid Disrupting Chemicals that Inhibit the Human Sodium/Iodide Symporter (NIS). TOXICOLOGY IN VITRO. Elsevier Science Ltd, New York, NY, USA, 66-78, (2017).

ToxCast bioactivity data and model predictions for the estrogen receptor (ER) and androgen receptor (AR) pathways were obtained from the inks provided. This dataset is associated with the following publication: Lizarraga, L., J. Dean, J. Kaiser, S. Wesselkamper, J. Lambert, and J. Zhao. A Case Study on the Application of An Expert-driven Read-Across Approach in Support of Quantitative Risk Assessment of p,p’-Dichlorodiphenyldichloroethane. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 103: 301-313, (2019).

Supplementary data for "Stephanie A. Eytcheson, Jennifer H. Olker, Katie Paul Friedman, Michael W. Hornung, Sigmund J. Degitz, Assessing utility of thyroid in vitro screening assays through comparisons to observed impacts in vivo, Regulatory Toxicology and Pharmacology, Volume 144, 2023, 105491, ISSN 0273-2300, https://doi.org/10.1016/j.yrtph.2023.105491.". Portions of this dataset are inaccessible because: N/A. They can be accessed through the following means: N/A. Format: The data used in this analysis are from publicly available sources and are cited in the references and/or the supplemental files. This dataset is associated with the following publication: Eytcheson, S., J. Olker, K. Friedman, M. Hornung, and S. Degitz. Assessing utility of thyroid in vitro screening assays through comparisons to observed impacts in vivo. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 144: 105491, (2023).