Figure 2. The tiered screening ... - U.S EPA Web Server



Figure 1. A network view of known potential MIEs for thyroid disruption. Several putative AOPs for thyroid hormone disruption are integrated into a combined AOP network. Given significant perturbation at each step, molecular-initiating events (MIEs) (left) proceed to key events (middle), and then to adverse outcomes (right). MIEs with related assays available in ToxCast are highlighted in green. TPO inhibition, and the key events of the AOP connecting TPO inhibition to adverse neurological outcomes, are highlighted in blue (Zoeller and Crofton, 2005). Other adverse outcomes related to thyroid hormone perturbation are also shown, including hearing loss, altered amphibian metamorphosis, and rodent thyroid tumors (Crofton and Zoeller, 2005; Pickford, 2010; McClain 1989). Figure 2. The tiered screening approach to identity, stratify and confirm TPO inhibitors. 1,074 unique ToxCast chemicals were initially screened using a single, high concentration to identify potential TPO inhibitors. Chemicals testing positive in the single concentration screen were retested in concentration-response for TPO inhibition. A cytotoxicity and luciferase inhibition assay were employed 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. The TPO inhibition activities of 150 chemicals were compared across the AUR-TPO and guaiacol oxidation assays to confirm the activity profiles of putative TPO inhibitors.Figure 3. Mean AUR-TPO activity for 1,074 ToxCast chemicals tested at a single, maximal concentration. Test chemical sample IDs run across the x-axis. The y-axis represents percent activity, inverted such that vehicle control is 0% (no inhibition) and 100% indicates maximal inhibition. Each black dot represents a unique test chemical. The horizontal blue lines indicate three times the baseline median absolute deviation (± 17%), and the horizontal red line indicates the threshold for a positive assay response, 20% inhibition. The histogram (right) shows the frequency distribution using 5% activity bins.Figure 4. AUR-TPO activity internally-replicated compounds with ToxCast test library. The results of 13 chemicals internally replicated as separate samples within the library in the single concentration screen (n=3) are represented as mean (black dots) ± SD (error bars). The y-axis represents percent activity, inverted such that vehicle control is 0% (no inhibition) and 100% indicates maximal inhibition. The horizontal red line indicates the threshold for a positive assay response, 20% inhibition. Figure 5. Ranked area under the fitted curves for 314 putative TPO inhibitors confirmed in dose-response in the AUR-TPO assay. 314 AUR-TPO actives retested in multiple-concentration screening were ranked by area under the fitted curve (AUC). AUC (y-axis) compresses potency and efficacy into a single value to reflect the relative overall activity in the AUR-TPO assay. 31 chemicals characterized as active in the initial single-concentration screen retested inactive in multiple-concentration screening (AUC = 0). Concentration-response curves with shaded AUCs are shown above for monuron, genistein and PTU.Figure 6. Putative TPO inhibitors, ranked by selective activity in the AUR-TPO assay. Insets A, B, and C magnify representative regions of the stratified list of putative TPO inhibitors ordered from most selective (top) to least selective (bottom) for AUR-TPO activity. Selectivity was calculated using difference between the log IC20 value for the AUR-TPO assay (black dots) and minimum log IC20 value for the cytotoxicity assay (blue square), luciferase assay (yellow triangle) or median modl_acc from 37 ToxCast cytotoxicity assays (all shown as green asterisks). Black horizontal bars demarcate the 1-log (top bar) and 0-log (bottom bar) thresholds that separate chemicals highly selective for AUR-TPO activity from those chemicals with low or no selective AUR-TPO activity.Figure 7. 150 Guaiacol-tested chemicals ranked by area under the fitted curve (AUC) in the AUR-TPO assay. (A) 150 chemicals (x-axis) tested across the AUR-TPO and GUA assays were ranked by AUC value (y-axis) derived from the AUR-TPO assay and then scored by GUA activity (blue and grey bars). The reported literature GUA activity was used to score 97 of the 101 chemicals previously tested in the GUA assay, while GUA collected in this study was used to score the remaining four literature chemicals and 49 ToxCast chemicals with no previous GUA testing. Blue arrow denote the 11 chemicals tested or reported as GUA-active that tested inactive in AUR-TPO. (B) Comparison of AUR-TPO (x-axis) and GUA (y-axis) threshold potencies for 49 ToxCast chemicals tested in both assays. Potency values are reported as log ?M. Chemicals tested as inactive in GUA are plotted across the top and those tested as inactive in AUR-TPO are plotted along the right. The black diagonal line denotes equal potency.Table 1. Target Compound Plate and Assay Plate Concentrations for Chemical Libraries. Test chemicals were solubilized in DMSO at a top concentration of 20 mM, unless constrained by solubility in DMSO (adjustments were then made during data analysis).Compound Plate Stock (mM)Assay Plate Concentration (?M)ToxCast Chemical Libraries Tested (I, II)20.087.5I and II5.0021.9I and II1.255.47I and II0.3131.37I and II0.07810.342I and II0.01950.0854I and II0.004880.0214I only0.001220.00534I onlyTable 2. Top 25 TPO inhibitors ranked by potency in AUR-TPO assay. Chemical NameCASRNIC201 (?M)% Emax 2AUC4-Hexylresorcinol136-77-60.00005296.9257Resorcinol108-46-30.00681.8226Methimazole60-56-00.01384.72244,4'-Methylenedianiline101-77-90.01886.32194-Pentylaniline33228-44-30.02083.42186-Propyl-2-thiouracil51-52-50.03695.72164-Methylaniline106-49-00.03773.2201Salicylhydroxamic acid89-73-60.03994.22126-Methyl-2-thiouracil56-04-20.04290.11952,2',4,4'-Tetrahydroxybenzophenone131-55-50.04287.32092-Mercaptobenzothiazole149-30-40.04397.0217Quercetin117-39-50.05798.9252Sodium azide26628-22-80.07141.8453-Methylaniline108-44-10.07981.91974-Chloroaniline106-47-80.08778.4187Tannic acid1401-55-40.08887.31406-Thioguanine154-42-70.09692.9212Catechol120-80-90.10081.5164Acibenzolar-S-methyl135158-54-20.10487.5218CI-1029207736-05-80.10895.01962-Naphthylamine91-59-80.11574.11804,4'-Oxydianiline101-80-40.11786.71772-Anisidine90-04-00.12274.5173Isoproterenol hydrochloride51-30-90.15470.41534,4'-Methylenebis(2-methylaniline)838-88-00.17177.01611IC20 represents the concentration at which maximal activity was inhibited by 20% in the AUR-TPO assay.2 % Emax refers to the percent maximum inhibition observed in concentration-response.Table 3. Comparative potency and AUC values for chemicals common between the AUR-TPO training study and the current study.Chemical NameCASRNAC50 Paul et al. 2014 (?M)AC50 Current Study (?M)AUC Current StudyMethimazole60-56-00.0250.06224Ethylene thiourea 96-45-70.0347.81236-Propyl-2-thiouracil 51-52-50.120.232162,2',4,4'-Tetrahydroxy-benzophenone131-55-50.160.172092-Mercaptobenzothiazole149-30-40.450.36217Genistein446-72-04.53.5144Daidzein486-66-823101154-Nonylphenol104-40-5449153Triclosan3380-34-51424839Resorcinol108-46-32530.0252262-Hydroxy-4-methoxybenzophenone 131-57-7inactiveinactive0Dibutylphthalate84-74-2inactiveinactive0Diethylhexylphthalate117-81-7inactiveinactive0Diethylphthalate84-66-2inactiveinactive0Table 4. GUA assay results for ToxCast chemicals.Chemical NameCASRNAUR-TPO AUCSelectivityGUA Activity Call4,4'-Methylenedianiline101-77-92196.75activeAcibenzolar-S-methyl135158-54-22185.98inactive4-Methylaniline106-49-02016.43active3-Methylaniline108-44-11976.10active6-Methyl-2-thiouracil56-04-21952.78active5-Amino-2-methylphenol2835-95-21881.43active4,4'-Oxydianiline101-80-41775.93active2-Anisidine90-04-01735.91activeAniline hydrochloride142-04-11615.62activeIsoproterenol hydrochloride51-30-91535.81activeAzinphos-methyl86-50-01341.51activePhenolphthalin81-90-31310.76activeMethyl parathion298-00-01294.83inactiveIsoniazid54-85-31215.47activePharmaGSID_48505NOCAS_485051211.02inactiveDimethoate60-51-51201.06inactiveFenitrothion122-14-51144.66inactiveEthion563-12-21121.72inactivePhosmet732-11-6880.64activeTetracycline60-54-8864.50activeEthoxyquin91-53-2861.31activeBisphenol B77-40-7831.29active2,3,6-Trimethylphenol2416-94-6824.51inactiveN,N,4-Trimethylaniline99-97-8774.52activeSodium (2-pyridylthio)-N-oxide3811-73-2770.31activePhenothiazine92-84-2700.26activeThiophanate-methyl23564-05-8694.22activeDiclosulam145701-21-9694.21active2-Naphthalenol135-19-3664.63activeAsulam3337-71-164-2.15activeMalaoxon1634-78-2594.04inactiveN,N-Dimethylaniline121-69-7574.20activeCP-671305445295-04-5524.09inactiveDioctyl phthalate117-84-0514.15inactiveAcephate30560-19-1473.87active2,6-Dimethylphenol576-26-1453.97inactiveSodium azide26628-22-8456.15active3,5,3'-Triiodothyronine6893-02-3400.83active4-(Butan-2-yl)phenol99-71-8400.62inactiveEPN2104-64-5383.66inactiveFolic acid59-30-3353.83activeN-Ethyl-3-methylaniline102-27-2323.84inactiveBensulide741-58-2300.04inactiveSodium dimethyldithiocarbamate128-04-130-0.87activeCI-1044NOCAS_47291233.31inactiveN-Ethylaniline103-69-5163.08inactive7,12-Dimethylbenz(a)anthracene57-97-6123.20activeDiphenylamine122-39-4inactiveNAinactiveDisulfoton298-04-4inactiveNAinactiveTable 5. AUR assay results for chemicals reported with GUA assay results in the literature.Chemical NameCARNSourceGUA Lit Activity CallAUR-TPO AUCSelectivity(+/-)-Naringenin67604-48-2Sigmaactive1775.931-Methyl-1,3-dihydro-2H-benzimidazole-2-thione2360-22-7Sigmaactive1805.942,4-Dihydroxybenzophenone131-56-6DSSTox inventoryactive1265.562-Aminobenzothiazole136-95-8Sigmaactive640.892-Bromo-4-hydroxyacetophenone2491-38-5DSSTox inventoryactive954.742-Mercaptobenzimidazole583-39-1DSSTox inventoryactive2302.993-Hydroxy-2(hydroxymethyl)pyridine14173-30-9Sigmaactive0NA3-Hydroxy-2-pyridone16867-04-2DSSTox inventoryactive2396.693-Hydroxypyridine109-00-2Sigmaactive0NA3-Methylcholanthrene56-49-5Sigmaactive32-4.205,5-?Dimethyl-?1-?Hydroxymethylhydantoin116-25-6DSSTox inventoryactive0NA5-Chloro-2-mercaptobenzothiazole5331-91-9Sigmaactive1852.945-Nitro-2-mercaptobenzimidazole6325-91-3Sigmaactive2143.376-Hydroxy-2-oxopyridinium chloride10357-84-3Sigmaactive964.62Benzo(e)pyrene192-97-2DSSTox inventoryactive0NABenzo(k)fluoranthene207-08-9Sigmaactive0NABenzothiazole95-16-9DSSTox inventoryactive841.36DL-Goitrin13190-34-6Santa Cruzactive373.64Leucomalachite green129-73-7DSSTox inventoryactive510.66Minocycline hydrochloride13614-98-7DSSTox inventoryactive1506.69N,N,N',N'-Tetramethylthiourea2782-91-4TCIactive0NARicinine524-40-3Sigmaactive0NASalicylhydroxamic acid89-73-6Sigmaactive2126.41Sodium thiocyanate540-72-7DSSTox inventoryactive694.53Sulfamethazine57-68-1DSSTox inventoryactive724.57Sunitinib malate341031-54-7Sigmaactive750.87Thiourea62-56-6DSSTox inventoryactive960.692-(2-Hydroxy-5-methylphenyl)benzotriazole2440-22-4DSSTox inventoryinactive0NA2(3H)-Benzothiazolone934-34-9Sigmainactive193.392-(8-Heptadecenyl)-2-imidazoline-1-ethanol95-38-5DSSTox inventoryinactive48-0.132,2'-Dihydroxy 4-methoxybenzophenone131-53-3Sigmainactive0NA2,3,4-Trihydroxbenzophenone1143-72-2DSSTox inventoryinactive1532.452,4-Dihydroxypyridine626-03-9Sigmainactive0NA2-Hydroxy 4-methoxybenzophenone131-57-7DSSTox inventoryinactive0NA2-Hydroxypyridine142-08-5DSSTox inventoryinactive0NA3-(4-Methylbenzylidene)camphor36861-47-9Sigmainactive0NA3-Hydroxy-6-methylpyridine1121-78-4DSSTox inventoryinactive0NA3-Methoxy-4-hydroxypyridine62885-41-0Frontierinactive0NA4-Butylphenol1638-22-8DSSTox inventoryinactive390.904-Ethylphenol123-07-9DSSTox inventoryinactive0NA4-Hydroxybenzophenone1137-42-4Sigmainactive0NA4-Hydroxypyridine626-64-2DSSTox inventoryinactive0NA4-Propylphenol645-56-7DSSTox inventoryinactive440.68Benzhydrol91-01-0Sigmainactive0NAButyl salicylate2052-14-4Sigmainactive0NADibenzo(a,h)anthracene53-70-3DSSTox inventoryinactive0NADipyrone monohydrate5907-38-0Sigmainactive1105.16Ethyl-3-hydroxybenzoate7781-98-8Sigmainactive0NAMethyl methylbenzoate89-71-4DSSTox inventoryinactive0NAMethylmercury chloride115-09-3Sigmainactive0NAMethylthiobenzothiazole615-22-5Sigmainactive0NAN'-tert-butyl-n-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine28159-98-0DSSTox inventoryinactive0NAOctinoxate 5466-77-3Sigmainactive0NAPhenol red143-74-8DSSTox inventoryinactive45-0.06Phenylbutazone50-33-9DSSTox inventoryinactive263.61Table 6. Consideration of the AUR-TPO inhibition assay using criteria for alternative screening assay development.#Criteria for Alternative Screening Assay DevelopmentRating of the AUR-TPO inhibition assay1Key eventTPO inhibition is clearly linked with decreased thyroid hormone synthesis, with clinical and animal model information to support the connections between TPO inhibition, decreased thyroid hormone synthesis, and aberrant neurodevelopment.2Endpoint measurementThe endpoint measured in this assay is a loss of fluorescence, indicating decreased TPO activity. This endpoint is not measured directly, and as such assay confounders may include auto-fluorescent chemicals, detergents, salts, denaturing agents, pan-active enzyme inhibitors, and highly reactive chemicals.3Dynamic rangeThe AUR-TPO inhibition demonstrates excellent dynamic range and sufficiently low intersample variability to discriminate clearly between positive and negative test chemicals with a rZ’ of 0.77-0.83. A rZ′ of 0.5?1.0 corresponds to an assay with a suitably high signal-to-background difference and low variability to be amenable for HTS applications. 4Parametric controlsConduct of the AUR-TPO assay without H2O2 to initiate the reaction or without thyroid microsomal protein will result in a lack of response. The vehicle control (DMSO) was used in place of a chemical to demonstrate maximal TPO activity.5Response characterizationA response threshold has been set at 20% inhibition of maximal TPO activity, and a link between AUR-TPO activity in vitro and effects on thyroid hormone homeostasis in vivo is not fully characterized. However, subsequent refinement using assays to indicate potential confounding factors may add relevance to the response characterization.6ConcentrationConcentration response curves are measured and replicable in the AUR-TPO inhibition assay.7Endpoint selectivityThe AUR-TPO inhibition assay is subject to confounders as previously described that may result in false-positive outcomes. Stratification of AUR-TPO inhibition results as demonstrated herein provides a pragmatic approach for increasing endpoint selectivity in the AUR-TPO assay.8Endpoint selective controlsMMI was included on every assay plate, and demonstrated predictable performance within and across studies (Paul et al., 2014).9Training setA training set of chemicals (Paul et al., 2014) with both positive and negative chemicals was developed previously and verified in this study, with qualitative concordance and a good degree of quantitative concordance (Table 4). 10Testing setThe ToxCast Phase I and II chemical libraries, along with chemicals tested due to positive findings in the GUA assay as reported in the literature, comprise a broad test set for the AUR-TPO assay, including 17 known TPO inhibitors and 32 known negatives, but with the vast majority of these chemicals either never tested in vitro or in vivo for TPO inhibition.11Specificity and sensitivityUsing the 150 total GUA activity calls as the standard of in vitro TPO inhibition, the AUR-TPO assay has a balanced accuracy of 70% with greater sensitivity (88.3%) than specificity (39.3%). The relatively low specificity of AUR-TPO results from a large number of AUR-TPO actives that tested or were reported as inactive in GUA; our studies found that chemicals tested in GUA required higher test concentrations (compared to AUR-TPO) to exceed the activity threshold and this may explain the discordance between the assays.12High-throughputThe AUR-TPO inhibition assay was conducted in a semi-automated 384-well format, enabling hundreds to thousands of chemicals to be tested in one day. A major limitation on throughput is the preparation of rat thyroid microsomes. Approximately 87 test wells can be run with a single rat thyroid (approximately 15-20 mg of tissue).13DocumentationThis assay is fully documented with all assay details available in this work and in a previous work (Paul et al., 2014).14TransferabilityThe assay itself is highly transferrable using a commercially available reagent (Amplex UltraRed ?, Life Technologies) and other commonly available assay reagents. Rat thyroid microsomal tissue remains a limitation on transferability.15Data sharingAll of the data files for this evaluation are available as Supplemental Material and on a public website.Supplemental Figure 1. Control responses AUR-TPO, luciferase inhibition and cytotoxicity screening assays. Concentration response curves for (a) methimazole used in single-concentration AUR-TPO; (b) methimazole used in multiple-concentration AUR-TPO screening; (c) LUCINH2 used in luciferase inhibition assay; (d) DCNQ used in cytotoxicity assay. The x-axis represents concentration of control compounds in log ?M units. The y-axis represents percent activity for all assays. Supplemental Table 1. ToxCast chemicals screened using AUR-TPO assay.1,074 ToxCast chemicals were screened using a single, high concentration in the AUR-TPO assay. Activity is presented as the mean of three biological replicates such that vehicle control is 0% (no inhibition) and 100% indicates maximal inhibition. Chemical NameCASRNMean Activity (%)Quercetin117-39-598.92-Mercaptobenzothiazole149-30-496.64-Hexylresorcinol136-77-696.2Gentian Violet548-62-995.5Phosmet732-11-695.35-Amino-2-methylphenol2835-95-295.2Azinphos-methyl86-50-095.1Dimethoate60-51-594.91,5-Naphthalenediamine2243-62-194.7Methidathion950-37-893.8Troglitazone97322-87-793.26-Thioguanine154-42-792.7Malathion121-75-592.42,2',4,4'-Tetrahydroxybenzophenone131-55-592.4Azamethiphos35575-96-392.3Octyl gallate1034-01-192.02,5-Di-tert-butylbenzene-1,4-diol88-58-491.8Farglitazar196808-45-491.46-Propyl-2-thiouracil51-52-591.19-Phenanthrol484-17-390.76-Methyl-2-thiouracil56-04-290.32,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane2971-36-090.3CI-1029207736-05-890.0Phenolphthalin81-90-389.64,4'-Oxydianiline101-80-488.81,3-Benzenediamine108-45-288.7Carboxin5234-68-488.3Ziram137-30-488.32,4-Diaminotoluene95-80-788.1Methimazole60-56-087.2Dazomet533-74-487.1Rifampicin13292-46-186.4N-Phenyl-1,4-benzenediamine101-54-286.3tert-Butylhydroquinone1948-33-086.13,4-Diaminotoluene496-72-085.7Phenothiazine92-84-285.6Aniline hydrochloride142-04-185.64,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]41481-66-785.0Daidzein486-66-884.9Methylene bis(thiocyanate)6317-18-684.74,4'-Methylenedianiline101-77-984.42-(Thiocyanomethylthio)benzothiazole21564-17-084.1Hydroquinone123-31-984.1Isoeugenol97-54-184.0Thiophanate-methyl23564-05-883.8Tannic acid1401-55-483.8Methyldopa sesquihydrate41372-08-183.6Bifenazate149877-41-883.5Acibenzolar-S-methyl135158-54-282.9Methyl parathion298-00-082.84-Pentylaniline33228-44-382.8Dodecylbenzenesulfonic acid27176-87-082.6Mevinphos7786-34-782.4Catechol120-80-982.42-Anisidine90-04-082.23-Methylaniline108-44-182.02-Naphthylamine91-59-881.51,2-Phenylenediamine95-54-581.4Resorcinol108-46-381.3Ethylene thiourea96-45-781.24-Chloroaniline106-47-881.2CP-634384290352-28-281.1Propyl gallate121-79-981.1HMR1426262376-75-080.94-Methylaniline106-49-080.9Phenolphthalein77-09-880.72,3-Diaminotoluene2687-25-480.4Fenitrothion122-14-580.3Anthracene120-12-780.1SAR150640NOCAS_4738980.0Cyanamide420-04-279.92-tert-Butyl-4-methoxyphenol121-00-679.8Ethion563-12-279.7Mancozeb8018-01-779.6Sodium (2-pyridylthio)-N-oxide3811-73-279.4Sodium dodecylbenzenesulfonate25155-30-079.04,4'-Methylenebis(2-methylaniline)838-88-078.83,3',5,5'-Tetrabromobisphenol A79-94-778.62-Methoxy-5-nitroaniline99-59-278.64-Chloro-1,2-diaminobenzene95-83-078.24-Aminobenzoic acid150-13-078.1Genistein446-72-077.9Dapsone80-08-077.9Pirimiphos-methyl29232-93-777.54,4'-Methylenebis(N,N-dimethylaniline)101-61-177.4Clove leaf oil8000-34-877.4Diclosulam145701-21-977.1N,N,4-Trimethylaniline99-97-876.3Isoniazid54-85-376.2Malaoxon1634-78-275.7Maneb12427-38-275.64-Aminoazobenzene60-09-375.1Eugenol97-53-075.12-Methylaniline95-53-475.0Acephate30560-19-174.9Tetracycline60-54-874.88-Hydroxyquinoline148-24-373.3CJ-013790179465-71-573.2Chlorpyrifos-methyl5598-13-072.7Retinol68-26-872.617beta-Trenbolone10161-33-872.51-Hydroxypyrene5315-79-772.4Terbufos sulfone56070-16-772.4Benz(a)anthracene56-55-371.82,4-Bis(2-methylbutan-2-yl)phenol120-95-671.52,4,6-Trimethylphenol527-60-671.5Z-Tetrachlorvinphos22248-79-971.0Anilazine101-05-370.4Dichlorvos62-73-770.12-Methoxy-5-methylaniline120-71-870.0Carminic acid1260-17-969.9Fenthion55-38-969.8Isoproterenol hydrochloride51-30-969.42,3,6-Trimethylphenol2416-94-669.3N,N-Dimethylaniline121-69-769.3all-trans-Retinoic acid302-79-469.14,4',4"-Ethane-1,1,1-triyltriphenol27955-94-869.1Maltol118-71-869.0UK-337312203942-49-868.53,7-Dimethyl-2,6-octadienal5392-40-568.4PharmaGSID_48505NOCAS_4850568.3Oxytetracycline dihydrate6153-64-668.2Phorate298-02-267.92,4,6-Tris(tert-butyl)phenol732-26-367.8Toluene-2,4-diisocyanate584-84-967.82,4-Di-tert-butylphenol96-76-467.62-tert-Butyl-4-ethylphenol96-70-866.9Diethylstilbestrol56-53-166.8PD-0333941501027-49-266.7FD&C Blue No. 13844-45-966.4Busulfan55-98-164.9Fenaminosulf140-56-764.3Triclocarban101-20-263.5meso-Hexestrol84-16-263.22-Amino-5-azotoluene97-56-362.6Simvastatin79902-63-962.5Docusate sodium577-11-762.32,6-Di-tert-butylphenol128-39-262.0Dodecylbenzene sulfonate triethanolamine(1:1)27323-41-762.0Methyl methanesulfonate66-27-361.5Michler's ketone90-94-861.3Darbufelone mesylate139340-56-060.8PharmaGSID_473371061517-62-160.7Monuron150-68-560.3Resmethrin10453-86-860.1CP-105696158081-99-359.9Profenofos41198-08-759.0CP-456773210826-40-758.7Dimethyl sulfate77-78-158.6Formetanate hydrochloride23422-53-958.3FR150011149413-74-158.3Oxytetracycline hydrochloride2058-46-058.24-Nonylphenol, branched84852-15-358.1Bisphenol AF1478-61-157.5Diazinon333-41-556.9Asulam3337-71-156.7Mesotrione104206-82-856.2Folic acid59-30-356.1Isazofos42509-80-856.0Allethrin584-79-256.04-(1,1,3,3-Tetramethylbutyl)phenol140-66-954.4Didecyldimethylammonium chloride7173-51-554.0SR271425155990-20-853.6Hexaflumuron86479-06-353.4Ethoxyquin91-53-253.3CP-471358NOCAS_4726551.52,6-Dimethylphenol576-26-151.3Allura Red C.I.1603525956-17-650.42-Naphthalenol135-19-350.32-Chloroacetophenone532-27-450.1Tolazamide1156-19-050.04-Cumylphenol599-64-450.01,2-Benzenedicarboxaldehyde643-79-849.6Rotenone83-79-449.5Ketoconazole65277-42-149.0Mifepristone84371-65-348.83-Hydroxyfluorene6344-67-848.5SAR115740NOCAS_4736647.7Sodium dodecyl sulfate151-21-347.5Ethoprop13194-48-447.5Methamidophos10265-92-647.2Geranyl acetate105-87-346.8Norethindrone68-22-446.6(2Z)-3,7-Dimethylocta-2,6-dien-1-ol106-25-246.0MK-578313994-79-546.0Bisphenol B77-40-745.2Cymoxanil57966-95-745.0Sodium myristyl sulfate1191-50-044.8Bisphenol A80-05-744.5Metam-sodium hydrate6734-80-144.2Diuron330-54-144.1N-Ethylaniline103-69-544.04-Aminofolic acid54-62-644.0Bensulide741-58-243.9Fenamidone161326-34-743.72,4-Bis(1-methyl-1-phenylethyl)phenol2772-45-443.5Tebupirimfos96182-53-543.2Trichloroacetic acid76-03-943.2Parathion56-38-243.1N-Ethyl-3-methylaniline102-27-243.1Fenoxaprop-ethyl66441-23-442.9Niclosamide50-65-742.9Sorbic acid110-44-142.5Sodium erythorbate (1:1)6381-77-742.1Linuron330-55-241.617alpha-Estradiol57-91-041.34-Heptylphenol1987-50-441.1Chlorpyrifos oxon5598-15-240.517alpha-Ethinylestradiol57-63-640.32,4-Dimethylphenol105-67-940.0Triclosan3380-34-539.0Napropamide15299-99-738.9SB202235139149-55-638.7Sodium L-ascorbate134-03-238.3Elzasonan361343-19-338.22-Chlorophenol95-57-838.0Thidiazuron51707-55-237.9Chlorpyrifos2921-88-237.8Piperonyl butoxide51-03-637.817beta-Estradiol50-28-237.7SSR162369NOCAS_4734637.5Coumaphos56-72-437.0Azathioprine446-86-636.8Terbufos13071-79-936.84-Octylphenol1806-26-436.6Symclosene87-90-136.44-Chlorobenzotrichloride5216-25-136.3PharmaGSID_485111062243-51-936.0Procymidone32809-16-836.02-tert-Butyl-5-methylphenol88-60-835.93,5,3'-Triiodothyronine6893-02-335.9Sodium azide26628-22-835.9Chlorethoxyfos54593-83-835.6Folpet133-07-335.5AVE5638725228-45-535.21,2-Diphenylhydrazine122-66-735.0Carbendazim10605-21-735.04-Androstene-3,17-dione63-05-834.8PFDA335-76-234.5Sodium hexyldecyl sulfate1120-01-034.4Clorophene120-32-133.8Triglycidyl isocyanurate2451-62-933.5Prallethrin23031-36-933.1PharmaGSID_47263349495-42-733.0SSR150106NOCAS_4736232.8Methotrexate59-05-231.9Famoxadone131807-57-331.9EPN2104-64-531.0(E)-Anethole4180-23-830.92,2-Dibromo-3-nitrilopropionamide10222-01-230.7Tiratricol51-24-130.5Citronellol106-22-930.54-(2-Methylbutan-2-yl)phenol80-46-630.21,3-Propane sultone1120-71-429.9Propanil709-98-829.9Pentachlorophenol87-86-529.9Ro 23-7637107071-66-929.3PFNA375-95-128.8Safrole94-59-728.6Difenoconazole119446-68-328.5CI-1044NOCAS_4729128.5Cinmethylin87818-31-328.44-Nonylphenol104-40-528.2Triflumizole68694-11-128.0Dioctyl phthalate117-84-028.0Sodium dimethyldithiocarbamate128-04-127.94-(Butan-2-yl)phenol99-71-827.8Forchlorfenuron68157-60-827.6Maleic hydrazide123-33-127.4FR900409138472-01-227.2Chloramben133-90-427.04-Cyclohexylcyclohexanone92-68-226.9N-Methyl-2-pyrrolidone872-50-426.8Butyl benzyl phthalate85-68-726.7Hydroxyurea127-07-126.5Reserpine50-55-526.3Tris(2-ethylhexyl) trimellitate3319-31-126.2Tamoxifen citrate54965-24-125.6Oryzalin19044-88-325.5Mercuric chloride7487-94-725.5S-Bioallethrin28434-00-625.2Alachlor ESA, sodium salt140939-15-725.0Anthralin1143-38-024.8Fenhexamid126833-17-824.4Phenol108-95-224.1Clopyralid1702-17-624.0Triphenyl phosphite101-02-023.9TNP-470129298-91-523.9Monocrotophos6923-22-423.8PharmaGSID_48510460081-99-623.3Thiram137-26-823.17,12-Dimethylbenz(a)anthracene57-97-623.0CP-671305445295-04-523.0UK-373911291305-06-122.7Benomyl17804-35-222.7Testosterone propionate57-85-222.61-Dodecyl-2-pyrrolidinone2687-96-922.5Fabesetron hydrochloride129299-90-722.3CP-544439230954-09-322.3PharmaGSID_48509NOCAS_4850922.0AVE6324NOCAS_4737722.04-tert-Butylphenol98-54-422.0Methyl 2-aminobenzoate134-20-322.0Phosalone2310-17-021.9Flufenacet142459-58-321.8Myrcene123-35-321.8Raloxifene hydrochloride82640-04-821.7Tamoxifen10540-29-121.5Biphenyl92-52-421.42-tert-Butylphenol88-18-621.2C.I. Solvent Yellow 14842-07-920.4Propiconazole60207-90-120.3Phenobarbital sodium57-30-720.2Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)NOCAS_3474220.1Perfluoroheptanoic acid375-85-919.94-Hydroxytamoxifen68392-35-819.8Fosthiazate98886-44-319.7Etridiazole2593-15-919.7Estrone53-16-719.5SB243213A200940-23-419.31,3-Dichlorobenzene541-73-119.2Tepraloxydim149979-41-919.12,6-Dimethylaniline87-62-719.0Fenbuconazole114369-43-619.0Imazalil35554-44-018.9CP-608039NOCAS_4730518.9CI-959104795-68-818.8FD&C Yellow 62783-94-018.8Methyleugenol93-15-218.8Carfentrazone-ethyl128639-02-118.5Cumene hydroperoxide80-15-918.3AVE9423862243-29-618.1Prednisone53-03-218.1TDCPP13674-87-818.0HMR1171 trifluoroacetate (1:1)NOCAS_4852217.3Fenamiphos22224-92-617.2N,N-Dimethylformamide68-12-217.1Nitrobenzene98-95-317.0Spironolactone52-01-716.9Dicrotophos141-66-216.8Octabenzone1843-05-616.6Diclofop-methyl51338-27-316.6Penoxsulam219714-96-216.6Progesterone57-83-016.5Benzotrichloride98-07-716.5Nicotinic acid59-67-616.2Captafol2425-06-116.2Prochloraz67747-09-516.1Heptachlor76-44-816.1Heptanoic acid111-14-816.1Decanoic acid334-48-516.0Vernolate1929-77-715.9SR125047NOCAS_4734215.7Nitrofurazone59-87-015.6Fandosentan potassium salt221246-12-415.6Cyproterone acetate427-51-015.6Hexaconazole79983-71-415.5Corticosterone50-22-615.42-Methyl-2,4-pentanediol107-41-515.4Pyridoxine65-23-615.3alpha-Isomethylionone127-51-515.22-Benzylideneoctanal101-86-015.2Propetamphos31218-83-415.1Ethephon16672-87-015.11,2,4-Trimethylbenzene95-63-614.9Perfluoroundecanoic acid2058-94-814.7Methadone hydrochloride1095-90-514.71,3-Dichloro-5,5-dimethylhydantoin118-52-514.32-Methyl-4,6-dinitrophenol534-52-114.3GW473178E methyl benzene sulphonic acid263553-33-914.3Clotrimazole23593-75-114.2Diniconazole83657-24-314.2FR130739136042-19-814.1SR146131221671-62-114.0PharmaGSID_48172NOCAS_4817214.0N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine102-60-314.0Celecoxib169590-42-514.01-Tetradecene1120-36-113.9Clomiphene citrate (1:1)50-41-913.9Colchicine64-86-813.6Bronopol52-51-713.5Cyclanilide113136-77-913.55-Chloro-2-methyl-3(2H)-isothiazolone26172-55-413.3Carbaryl63-25-213.32-Methyl-5-nitroaniline99-55-813.3Captan133-06-213.2PharmaGSID_47330NOCAS_4733013.2PharmaGSID_47315444610-91-713.1Cyazofamid120116-88-313.0Abamectin71751-41-213.01-Hexadecanol36653-82-412.9SAR1026081068967-96-312.9UK-156819162706-14-112.8Myclobutanil88671-89-012.82-Aminoanthraquinone117-79-312.7PharmaGSID_48519686756-87-612.7Trelanserin189003-92-712.66-Methylquinoline91-62-312.6o-Cresol95-48-712.3Butylparaben94-26-812.3MK-274NOCAS_4732812.24-Nitroaniline100-01-612.1Dimethyl phthalate131-11-312.0Thiabendazole148-79-811.9Indomethacin53-86-111.9beta-Hexachlorocyclohexane319-85-711.9Dimethylcarbamoyl chloride79-44-711.8Diethyl sulfate64-67-511.7Pymetrozine123312-89-011.7Nitrilotriacetic acid139-13-911.717alpha-Hydroxyprogesterone68-96-211.6Ingliforib186392-65-411.6Hexadecane544-76-311.6Zoxamide156052-68-511.6Tetrac67-30-111.6Amitraz33089-61-111.4SB236057A180084-01-911.4CP-612372353280-07-611.3Pyraclostrobin175013-18-011.3Bis(2-chloroethyl) ether111-44-411.2Isopropyl triethanolamine titanate36673-16-211.1CP-457920220860-50-411.0Pioglitazone hydrochloride112529-15-410.9Pentanal110-62-310.8Isooctyl acrylate29590-42-910.85HPP-33105624-86-010.7Lovastatin75330-75-510.7Benodanil15310-01-710.52-Chloroethanol107-07-310.4Nicotine54-11-510.4Fluometuron2164-17-210.4Tridemorph24602-86-610.3Picloram1918-02-110.14-Ethyloct-1-yn-3-ol5877-42-910.1Tribufos78-48-810.1AVE3247NOCAS_4738310.12,4-Dinitrophenol51-28-510.1Triadimenol55219-65-310.1Cyprodinil121552-61-210.0Dicofol115-32-210.04-Nitrotoluene99-99-010.0Sulfasalazine599-79-110.0Glutaraldehyde111-30-89.9Cotinine486-56-69.82,5-Dimethylphenol95-87-49.8Disulfiram97-77-89.7Hydrochlorothiazide58-93-59.7SSR241586NOCAS_473539.617-Methyltestosterone58-18-49.6Imazamox114311-32-99.6Caprolactam105-60-29.6Ilepatril473289-62-29.5CP-283097171866-31-29.4Citric acid77-92-99.3Tetraconazole112281-77-39.11,2-Dimethyl-3-nitrobenzene83-41-09.11H-1,2,4-Triazole288-88-09.0Disulfoton298-04-49.0Flusilazole85509-19-99.03-Nitrotoluene99-08-18.9Sethoxydim74051-80-28.9Quinoxyfen124495-18-78.7Volinanserin139290-65-68.7PK 1119585532-75-88.6Zenarestat112733-06-98.5Pyriproxyfen95737-68-18.4SB281832219790-72-48.4Metribuzin21087-64-98.4Denatonium saccharide90823-38-48.3Clofibrate637-07-08.32,6-Dinitrotoluene606-20-28.2Acenaphthylene208-96-88.2Dimethomorph110488-70-58.2Simazine122-34-98.1Dinoseb88-85-78.1Molinate2212-67-18.1Butachlor23184-66-98.1Fluroxypyr-meptyl81406-37-38.0Kepone143-50-08.0Sodium xylenesulfonate1300-72-77.91,4-Dichlorobenzene106-46-77.8Fenarimol60168-88-97.8N,N-Diethylaniline91-66-77.82-(Butan-2-yl)phenol89-72-57.83-Pyridinecarbonitrile100-54-97.8PFOS1763-23-17.7PharmaGSID_48514NOCAS_485147.71,2,3-Trichlorobenzene87-61-67.7Candoxatril123122-55-47.6SSR126768NOCAS_473797.6Isopropalin33820-53-07.6Trioctyl trimellitate89-04-37.6Clethodim99129-21-27.6FR140423151506-44-47.3SSR180711298198-52-47.31,2-Dimethyl-4-nitrobenzene99-51-47.3Triethylene glycol diacetate111-21-77.2Hydroxyflutamide52806-53-87.1CP-401387199171-88-57.1CP-085958134002-60-17.1Flumioxazin103361-09-77.0FD&C Yellow 51934-21-06.91,3-Diphenylguanidine102-06-76.9Tebuconazole107534-96-36.91,2-Dinitrobenzene528-29-06.8Piragliatin625114-41-26.8Cladribine4291-63-86.8Furfural98-01-16.8CJ-013610249296-43-36.8Zamifenacin127308-82-16.8MK-547331623-06-46.8Oxadiazon19666-30-96.8PharmaGSID_48518NOCAS_485186.8Dichloroacetic acid79-43-66.7Tris(2-ethylhexyl) phosphate78-42-26.7Tebufenpyrad119168-77-36.7SAR377142NOCAS_473856.6Chloridazon1698-60-86.6Norflurazon27314-13-26.6Nonanoic acid112-05-06.6PharmaGSID_48507NOCAS_485076.5Metolachlor ESA171118-09-56.5l-Tryptophan73-22-36.5Fluazifop-P-butyl79241-46-66.5Tris(2-chloroethyl) phosphate115-96-86.4Fludioxonil131341-86-16.4Erythromycin114-07-86.4MK-968NOCAS_473346.4Benzoic acid65-85-06.3Diethyl phthalate84-66-26.3Fulvestrant129453-61-86.3UK-416244402910-27-46.32,6-Diethylaniline579-66-86.33-Bromo-1-propanol627-18-96.22-Ethyl-1-hexanol104-76-76.2Theobromine83-67-06.21-Undecanol112-42-56.2SSR69071344930-95-66.2Thiodicarb59669-26-06.22,4-Dinitrotoluene121-14-26.2Bromoxynil1689-84-56.1PharmaGSID_47259149062-75-96.1Dichlorprop120-36-56.1Dibenzofuran132-64-96.14,4'-Bipyridine553-26-46.1Triticonazole131983-72-76.1UK-333747197077-55-76.1Quizalofop-ethyl76578-14-86.1Warfarin81-81-26.1PFOA335-67-16.1Pyraflufen-ethyl129630-19-96.0Acrylamide79-06-16.0Iprodione36734-19-75.92,4-DB94-82-65.9Flufenpyr-ethyl188489-07-85.9Diethylene glycol dibenzoate120-55-85.8Cyclohexanol108-93-05.8Diquat dibromide monohydrate6385-62-25.8Cyhalofop-butyl122008-85-95.7Hexachlorocyclopentadiene77-47-45.7Tributyl phosphate126-73-85.7Triethyl citrate77-93-05.7Dodecyltrimethylammonium chloride112-00-55.7MK-812851916-42-25.7Triacetin102-76-15.72-[2-(2-Ethoxyethoxy)ethoxy]ethanol112-50-55.7Fluridone59756-60-45.5Fenofibrate49562-28-95.5Pentaerythritol115-77-55.5PFBS-K29420-49-35.5Sorbitan, mono-(9Z)-9-octadecenoate1338-43-85.4Triethanolamine102-71-65.3Atrazine1912-24-95.3GSK232420A864283-48-75.32-Ethylhexanoic acid149-57-55.21,6-Diisocyanatohexane822-06-05.2N-Vinyl-2-pyrrolidone88-12-05.2Diallyl phthalate131-17-95.2Fomesafen72178-02-05.1Dipropyl 2,5-pyridinedicarboxylate136-45-85.1CP-122721145742-28-55.1Pirinixic acid50892-23-45.0Benzo(b)fluoranthene205-99-25.0Fipronil120068-37-35.0Octhilinone26530-20-15.04-Amino-1,2,4-triazole584-13-45.0Methoxychlor72-43-55.0CP-100829135080-03-44.9Dalapon75-99-04.9PHA-00568487527680-56-44.94-(2-Methylbutan-2-yl)cyclohexanol5349-51-94.9Bis(2-methoxyethyl) ether111-96-64.9Besonprodil253450-09-84.9Fenpropathrin39515-41-84.9Octamethylcyclotetrasiloxane556-67-24.8CP-457677214535-77-04.8Deisopropylatrazine1007-28-94.8PFHxA307-24-44.73'-Azido-3'-deoxythymidine30516-87-14.7Thymol89-83-84.7SSR146977264618-44-24.6Azoxystrobin131860-33-84.6PharmaGSID_48516NOCAS_485164.6Acetochlor ESA187022-11-34.5Chlorthal-dimethyl1861-32-14.5Dimethyl malonate108-59-84.5Octanoic acid124-07-24.5Sucrose57-50-14.4Emamectin benzoate155569-91-84.45-Fluorouracil51-21-84.4Methyl octanoate111-11-54.4Chlorpropham101-21-34.3Enadoline124378-77-44.3Tralkoxydim87820-88-04.2Dipentyl phthalate131-18-04.2CI-1018NOCAS_472484.2Etofenprox80844-07-14.22,4-Dichlorophenoxyacetic acid94-75-74.2Ethyl butyrate105-54-44.2Acetic acid64-19-74.21,3-Dinitrobenzene99-65-04.2Butylate2008-41-54.1Novaluron116714-46-64.11-Benzylquinolinium chloride15619-48-44.1Flumiclorac-pentyl87546-18-74.02,2'-[Ethane-1,2-diylbis(oxy)]diethanamine929-59-94.0D-Mannitol69-65-84.0Cycloate1134-23-23.9Acifluorfen50594-66-63.9Ethalfluralin55283-68-63.9Clomazone81777-89-13.9Sodium dehydroacetate4418-26-23.81,2,4-Trichlorobenzene120-82-13.8SR58611929601-09-23.8Glycerol56-81-53.7Thiobencarb28249-77-63.7CP-422935NOCAS_472993.7Methyl salicylate119-36-83.7Pentadecane629-62-93.7Nilutamide63612-50-03.6Triadimefon43121-43-33.6Hexanedioic acid124-04-93.6Sodium benzoate532-32-13.6Fenoxycarb72490-01-83.55,5-Dimethylhydantoin77-71-43.5CP-607366289716-94-53.5N,N-Diethylethanolamine100-37-83.4Cyanazine21725-46-23.4Ametryn834-12-83.4Chloroneb2675-77-63.4SSR504734742693-38-53.4CP-409092194098-25-43.4CP-863187668981-02-03.4Butylbenzene104-51-83.3Spiroxamine118134-30-83.3Fenpyroximate (Z,E)111812-58-93.31-Chloro-4-nitrobenzene100-00-53.3Octanal124-13-03.3MEHP4376-20-93.3Dexamethasone sodium phosphate2392-39-43.22-(Hydroxymethyl)-2-nitro-1,3-propanediol126-11-43.2Acetamiprid135410-20-73.1Metolachlor51218-45-23.1Cyproconazole94361-06-53.1Hexanoic acid142-62-13.0Sodium saccharin hydrate82385-42-03.0Acetyltriethyl citrate77-89-43.0Isopentyl alcohol123-51-32.92-Ethoxyethanol110-80-52.9PFOS-K2795-39-32.91-Methoxy-2-propanol107-98-22.9L-Tartaric acid87-69-42.8Monomethyl phthalate4376-18-52.8Adipic acid, polypropyleneglycol, laurate66456-53-92.8Imidacloprid138261-41-32.8Isoxaflutole141112-29-02.8Paclobutrazol76738-62-02.8Dipropylene glycol25265-71-82.81-(Hydroxymethyl)-5,5-dimethylhydantoin116-25-62.73-Phenoxybenzoic acid3739-38-62.7Chlorendic acid115-28-62.6Propargite2312-35-82.62-Phenoxyethanol122-99-62.63,4-Dichloronitrobenzene99-54-72.51-Pentadecanol629-76-52.5Terbacil5902-51-22.5p,p'-DDE72-55-92.5Triphenyl phosphate115-86-62.5Dioctyl succinate2432-87-32.5Methoxyfenozide161050-58-42.4Pravastatin sodium81131-70-62.4PharmaGSID_48513825643-57-02.4Propamocarb hydrochloride25606-41-12.4Prometryn7287-19-62.4Diphenhydramine hydrochloride147-24-02.4Thiacloprid111988-49-92.4Cyfluthrin68359-37-52.35,5-Diphenylhydantoin57-41-02.3Glycidol556-52-52.3Benzal chloride98-87-32.31-Octanol111-87-52.3Isopentyl butyrate106-27-42.3Dimethoxane828-00-22.2N-Nitrosodipropylamine621-64-72.12-Butoxyethanol111-76-22.12-Nitrotoluene88-72-22.1Imazethapyr81335-77-52.1Tebuthiuron34014-18-12.12,2-Bis(bromomethyl)-1,3-propanediol3296-90-02.12-Butanone oxime96-29-72.0Spirodiclofen148477-71-82.0tert-Butylbenzene98-06-62.0Dimethenamid87674-68-82.0SB413217ANOCAS_473252.0Clofentezine74115-24-51.9Hexanedioic acid, diisononyl ester33703-08-11.9Clodinafop-propargyl105512-06-91.9Di-tert-butyl peroxide110-05-41.9Methyl isothiocyanate556-61-61.9MGK-264113-48-41.95-Heptyldihydro-2(3H)-furanone104-67-61.9Acetophenone98-86-21.92-Methoxyethanol109-86-41.8Butafenacil134605-64-41.8Butyryl trihexyl citrate82469-79-21.8Trifloxysulfuron-sodium199119-58-91.8PFOA, ammonium salt3825-26-11.7Carabersat184653-84-71.75alpha-Dihydrotestosterone521-18-61.7Acetyl tributyl citrate77-90-71.6Acetaminophen103-90-21.6Mirex2385-85-51.6AVE3295478263-98-81.6Diazoxon962-58-31.6FR145237146011-65-61.61-Dodecanol112-53-81.5Nelivaptan439687-69-11.5UK-343664215297-27-11.5Diisodecyl hexanedioate27178-16-11.5Diethyl butanedioate123-25-11.5Dibromoacetonitrile3252-43-51.5Methacrylamide79-39-01.5Carbamazepine298-46-41.5tert-Butyl perbenzoate614-45-91.5Dicloran99-30-91.4N,N-Dimethyldecylamine oxide2605-79-01.4Sucrose octaacetate126-14-71.4Sulfentrazone122836-35-51.4Bis(2-ethylhexyl) terephthalate6422-86-21.4Decane124-18-51.4Stavudine3056-17-51.4Fenoxaprop-P-ethyl71283-80-21.4Imazaquin81335-37-71.4Tetramethrin7696-12-01.4Metolachlor OA152019-73-31.3Triethylene glycol dimethyl ether112-49-21.3PharmaGSID_48506588941-45-11.3Cyanuric acid108-80-51.3sec-Butylbenzene135-98-81.3Cyclohexylphenylketone712-50-51.3Hexythiazox78587-05-01.3Geraniol106-24-11.2Cloprop101-10-01.2Cyclohexylamine108-91-81.25-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane7747-35-51.2Clothianidin210880-92-51.1Propyzamide23950-58-51.1N,N'-Methylenebisacrylamide110-26-91.1Difenzoquat metilsulfate43222-48-61.1Methyl ethyl ketone78-93-31.1DEET134-62-31.1Dipropylene glycol monomethyl ether34590-94-81.1Azobenzene103-33-31.0Trichlorfon52-68-61.0MCPA94-74-61.02,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-31.0Bentazone25057-89-00.9Dodecylbenzene123-01-30.91,3-Butanediol107-88-00.9Diisopropyl methylphosphonate1445-75-60.9Lindane58-89-90.9Aplaviroc hydrochloride461023-63-20.8Carbosulfan55285-14-80.82-(Hexyloxy)ethanol112-25-40.8Aldicarb116-06-30.8Pendimethalin40487-42-10.8Chlordane57-74-90.8Norgestrel797-63-70.8Boscalid188425-85-60.8Diclofenac sodium15307-79-60.7Cypermethrin52315-07-80.7Permethrin52645-53-10.7Dichlobenil1194-65-60.7Cyclohexanone108-94-10.7Dicyclohexyl disulfide2550-40-50.61,2,3-Benzotriazole95-14-70.6Quinoline91-22-50.6Sodium trichloroacetate650-51-10.6Chlorobenzilate510-15-60.64-Cyclohexylcyclohexanol2433-14-90.6N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride3033-77-00.64-Methyl-2-pentanol108-11-20.6AVE8923NOCAS_473810.5CP-114271113734-18-20.5Quinclorac84087-01-40.5Cariporide mesylate159138-81-50.5Icaridin119515-38-70.52-(2-Butoxyethoxy)ethanol112-34-50.4N-Nitrosodiethylamine55-18-50.4Dimethyl adipate627-93-00.4Tributylamine102-82-90.31-Tridecanol112-70-90.2Dibutyl phthalate84-74-20.24-Vinyl-1-cyclohexene dioxide106-87-60.2Allyl alcohol107-18-60.1Chlorothalonil1897-45-60.1Tridecafluorohexylethyl methacrylate2144-53-80.1Grinstad Soft-N-SafeNOCAS_473940.11,3-Dichloro-2-propanol96-23-10.0Fluroxypyr69377-81-70.0Malic acid6915-15-70.0Dimethipin55290-64-70.01-Methylnaphthalene90-12-00.0PharmaGSID_485211191914-21-20.0Flumetralin62924-70-30.0SSR161421NOCAS_473740.0Imazapic104098-48-8-0.1SAR102779NOCAS_47387-0.1N,N-Dimethyloctylamine7378-99-6-0.11,2,3-Trichloropropane96-18-4-0.1Naphthalene91-20-3-0.1Monobutyl phthalate131-70-4-0.1PFOSA754-91-6-0.1Indoxacarb173584-44-6-0.24-Butyrolactone96-48-0-0.2Acetamide60-35-5-0.2Undecane1120-21-4-0.2Dimethyl succinate106-65-0-0.2Bromacil314-40-9-0.3Lactofen77501-63-4-0.3Butam35256-85-0-0.4Propylparaben94-13-3-0.41,5,9-Cyclododecatriene4904-61-4-0.4Endrin72-20-8-0.4Phenanthrene85-01-8-0.4Silica7631-86-9-0.5C10-21 sulfonic acids phenyl esters91082-17-6-0.5Triclopyr55335-06-3-0.6Acetochlor34256-82-1-0.6Prometon1610-18-0-0.61,3-Benzenedicarboxylic acid121-91-5-0.6Alachlor15972-60-8-0.6Ethylparaben120-47-8-0.6p-Bromodiphenyl ether101-55-3-0.6Fluorene86-73-7-0.7Esfenvalerate66230-04-4-0.7Diethanolamine111-42-2-0.7Pentachloronitrobenzene82-68-8-0.73-Iodo-2-propynyl-N-butylcarbamate55406-53-6-0.7Surinabant288104-79-0-0.7Sodium chlorite7758-19-2-0.81,2-Dichlorobenzene95-50-1-0.8Ethyl heptanoate106-30-9-0.8Triethoxyoctylsilane2943-75-1-0.9Butralin33629-47-9-0.9Triisononyl trimellitate53894-23-8-0.9YM218NOCAS_48176-0.9Ethanolamine141-43-5-0.9Flutamide13311-84-7-1.0Diphenyl isophthalate744-45-6-1.0Ethofumesate26225-79-6-1.0Trifloxystrobin141517-21-7-1.0Diacetone alcohol123-42-2-1.0Flumetsulam98967-40-9-1.0Methylparaben99-76-3-1.0Benzophenone119-61-9-1.1Oxyfluorfen42874-03-3-1.1Nitrofen1836-75-5-1.1AVE2865648917-13-9-1.1Dihexyl phthalate84-75-3-1.1Urethane51-79-6-1.24-Nitrobenzoic acid62-23-7-1.2Diisononyl cyclohexane-1,2-dicarboxylate166412-78-8-1.2CP-465394NOCAS_47255-1.2Aspirin50-78-2-1.2Pentane-1,5-diyl dibenzoate6624-73-3-1.33-Methylbutyl acetate123-92-2-1.3p,p'-DDT50-29-3-1.3Phenylmercuric acetate62-38-4-1.3Hexanedinitrile111-69-3-1.3Urea57-13-6-1.3Bifenthrin82657-04-3-1.3Pyridaben96489-71-3-1.3Isophorone78-59-1-1.3Ethylene glycol107-21-1-1.4Triamcinolone124-94-7-1.4PharmaGSID_47261177785-47-6-1.4Endosulfan115-29-7-1.4PD 0200347NOCAS_47292-1.510-Undecenoic acid112-38-9-1.5Dimethylaminoethanol108-01-0-1.52-Norbornene-5,6-dicarboxylic anhydride826-62-0-1.5Butyl benzoate136-60-7-1.6Bis(2-ethylhexyl) decanedioate122-62-3-1.6Carbofuran1563-66-2-1.6Octrizole3147-75-9-1.62-(2-Ethoxyethoxy)ethanol111-90-0-1.6Di(propylene glycol) dibenzoate27138-31-4-1.6Propoxur114-26-1-1.6Piperazine110-85-0-1.7Haloperidol52-86-8-1.7Pentamidine isethionate140-64-7-1.72-Ethoxyethyl acetate111-15-9-1.71,3,5-Trimethylbenzene108-67-8-1.7Clopyralid-olamine57754-85-5-1.8Diethylene glycol111-46-6-1.8p-Cymene99-87-6-1.8Dibutyl hexanedioate105-99-7-1.8Mepiquat chloride24307-26-4-1.9PHA-00543613478149-53-0-1.9FR167356174185-16-1-1.9Dicamba1918-00-9-1.9Octadecanoic acid57-11-4-1.9Bendiocarb22781-23-3-2.01,2-Propylene glycol57-55-6-2.0Fluconazole86386-73-4-2.12,6,10-Trimethyl-2,6,10-triazaundecane3855-32-1-2.1Isophorone diisocyanate4098-71-9-2.12,3-Benzofuran271-89-6-2.1Styrene oxide96-09-3-2.1Di(2-ethylhexyl) phthalate117-81-7-2.2Methomyl16752-77-5-2.2Cyclophosphamide monohydrate6055-19-2-2.2Terbuthylazine5915-41-3-2.2Hexane-1,6-diyl dibenzoate22915-73-7-2.32,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-0-2.4Fluazifop-butyl69806-50-4-2.41-Tetradecanol112-72-1-2.41,3-Diisopropylbenzene99-62-7-2.4Thiamethoxam153719-23-4-2.5Benzyl alcohol100-51-6-2.5Propazine139-40-2-2.5Heptachlor epoxide1024-57-3-2.5Metalaxyl57837-19-1-2.5Etoxazole153233-91-1-2.7Tripropylene glycol monomethyl ether25498-49-1-2.7Cyromazine66215-27-8-2.7Prodiamine29091-21-2-2.7Pentachloropyridine2176-62-7-2.7Fluoranthene206-44-0-2.8Triethylene glycol bis(2-ethylhexanoate)94-28-0-2.8Monobenzyl phthalate2528-16-7-2.82',3'-Dideoxyinosine69655-05-6-2.8Diethylene glycol monomethyl ether111-77-3-2.9CP-642931NOCAS_47267-2.9Pyrithiobac-sodium123343-16-8-2.94-Chlorotoluene106-43-4-3.0alpha-Cyclodextrin10016-20-3-3.0Diisobutyl adipate141-04-8-3.03,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)-NOCAS_48166-3.0Dibutyl decanedioate109-43-3-3.0Nitrofurantoin67-20-9-3.14-Nitrophenol100-02-7-3.2Dimethylarsinic acid75-60-5-3.3Cyclopamine4449-51-8-3.31,2,4,5-Tetrachlorobenzene95-94-3-3.3Propoxycarbazone-sodium181274-15-7-3.3Valproic acid99-66-1-3.4Sodium nitrite7632-00-0-3.4Oxamyl23135-22-0-3.4Hexazinone51235-04-2-3.42,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane78-63-7-3.4PD 0343701676116-04-4-3.4Di(2-ethylhexyl) adipate103-23-1-3.5Methenamine100-97-0-3.6CP-728663368832-42-2-3.6p,p'-DDD72-54-8-3.7Pyrimethamine58-14-0-3.7Thiazopyr117718-60-2-3.7EPTC759-94-4-3.7Fluazinam79622-59-6-3.7Vinclozolin50471-44-8-3.8Trinexapac-ethyl95266-40-3-3.8Propylbenzene103-65-1-3.8Propachlor1918-16-7-3.82,3-Dinitrotoluene602-01-7-3.9Benfluralin1861-40-1-3.91-Decanol112-30-1-4.0GSK163929BNOCAS_47311-4.0Butanoic acid107-92-6-4.1Iodosulfuron-methyl-sodium144550-36-7-4.1Propionic acid79-09-4-4.2Isoxaben82558-50-7-4.22-Chlorotoluene95-49-8-4.3Dimethyl glutarate1119-40-0-4.4Pentyl acetate628-63-7-4.4Imazapyr81334-34-1-4.4Dieldrin60-57-1-4.4Cytarabine hydrochloride69-74-9-4.4Pyrene129-00-0-4.5Mepanipyrim110235-47-7-4.5Ammonium carbamate1111-78-0-4.5Acenaphthene83-32-9-4.7N-Methyldioctylamine4455-26-9-4.71,1,2,2-Tetrahydroperfluoro-1-decanol678-39-7-4.7Boric acid10043-35-3-4.7Sulfluramid4151-50-2-4.8Tributyltin methacrylate2155-70-6-4.8Diisobutyl phthalate84-69-5-4.9Buprofezin69327-76-0-4.91,3-Dibromo-5,5-dimethylhydantoin77-48-5-4.9Pyrimethanil53112-28-0-5.0Bis(2-ethylhexyl) nonanedioate103-24-2-5.0N-Nitrosodibutylamine924-16-3-5.0Triethylene glycol112-27-6-5.1CP-532623261947-38-0-5.1Trifluralin1582-09-8-5.2Cycloheximide66-81-9-5.2Thalidomide50-35-1-5.3N-Nitrosodimethylamine62-75-9-5.4Dimethyl terephthalate120-61-6-5.5Tri-allate2303-17-5-5.5Caffeine58-08-2-5.51,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich68515-49-1-5.51-[3-(Triethoxysilyl)propyl]urea23779-32-0-5.5Aldicarb oxime1646-75-9-5.5Formamide75-12-7-5.6Coumarin91-64-5-5.6SR144190181640-09-5-5.72-Phenylphenol90-43-7-5.8Flutolanil66332-96-5-5.8N-Methylacetamide79-16-3-6.01H,1H,2H,2H-Perfluorooctyl iodide2043-57-4-6.0Endothal145-73-3-6.0Dithiopyr97886-45-8-6.1PharmaGSID_47333NOCAS_47333-6.3Pirimicarb23103-98-2-6.5Sodium 4-nitrophenolate824-78-2-6.8Amiodarone hydrochloride19774-82-4-6.8Indium arsenide1303-11-3-6.9PFHS-K3871-99-6-7.1Methyl dodecanoate111-82-0-7.2Daminozide1596-84-5-7.2Theophylline58-55-9-7.3Tributyltin chloride1461-22-9-7.4Fluthiacet-methyl117337-19-6-7.6Dicumyl peroxide80-43-3-7.7Fluoxastrobin361377-29-9-7.7Aldrin309-00-2-7.83,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-7-8.0Picoxystrobin117428-22-5-8.1Naled300-76-5-9.8Tefluthrin79538-32-2-10.0Nitrapyrin1929-82-4-10.1(E)-1,2-Dichloroethylene156-60-5-10.8o,p'-DDT789-02-6-10.8Tebufenozide112410-23-8-11.64-Chloro-3-methylphenol59-50-7-14.1SSR103800NOCAS_47364-14.8Triphenyltin hydroxide76-87-9-15.13,4-Dimethylphenol95-65-8-19.5N-Nitrosodiphenylamine86-30-6-25.0p-Cresol106-44-5-27.6Chlorpromazine hydrochloride69-09-0-28.92,4,5-Trichlorophenol95-95-4-34.23,3'-Dimethoxybenzidine119-90-4-40.03,3'-Dimethylbenzidine119-93-7-40.03,3'-Dimethoxybenzidine dihydrochloride20325-40-0-40.02,4,6-Trichlorophenol88-06-2-40.0Benzidine92-87-5-40.04-Hydroxy-3-methoxybenzaldehyde121-33-5-41.11,2-Benzisothiazolin-3-one2634-33-5-41.1Diphenylamine122-39-4-43.82,4-Dichlorophenol120-83-2-48.1Supplemental Table 2. Guaiacol-tested chemicals reported in the literature.Chemicals previously reported to be tested in the guaiacol oxidation (GUA) assay. Note: the first known published report is listed for any chemical published in multiple studies. Unpublished study data made available by Michael Hornung and the US EPA National Health and Environmental Effects Research Laboratory.Chemical NameCASRNReportedGUA ActivityPMID or Book TitleBibliographic Reference1-Methylbenzimidazoline-2-thione2360-22-7active8418860 ADDIN EN.CITE <EndNote><Cite><Author>Doerge</Author><Year>1993</Year><RecNum>104</RecNum><DisplayText>[1]</DisplayText><record><rec-number>104</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442538419">104</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Doerge, D. R.</author><author>Decker, C. J.</author><author>Takazawa, R. S.</author></authors></contributors><auth-address>Division of Biochemical Toxicology, National Center for Toxicological Research, Jefferson, Arkansas 72079.</auth-address><titles><title>Chemical and enzymatic oxidation of benzimidazoline-2-thiones: a dichotomy in the mechanism of peroxidase inhibition</title><secondary-title>Biochemistry</secondary-title><alt-title>Biochemistry</alt-title></titles><periodical><full-title>Biochemistry</full-title><abbr-1>Biochemistry</abbr-1></periodical><alt-periodical><full-title>Biochemistry</full-title><abbr-1>Biochemistry</abbr-1></alt-periodical><pages>58-65</pages><volume>32</volume><number>1</number><keywords><keyword>Benzimidazoles/chemistry/*metabolism/pharmacology</keyword><keyword>Chlorobenzoates/chemistry</keyword><keyword>Hyperthyroidism/drug therapy</keyword><keyword>Iodide Peroxidase/antagonists &amp; inhibitors</keyword><keyword>Kinetics</keyword><keyword>Lactoperoxidase/antagonists &amp; inhibitors</keyword><keyword>Magnetic Resonance Spectroscopy</keyword><keyword>Molecular Structure</keyword><keyword>Oxidation-Reduction</keyword><keyword>Peroxidases/*antagonists &amp; inhibitors</keyword><keyword>Spectrometry, Mass, Fast Atom Bombardment</keyword><keyword>Thiones/chemistry/*metabolism/pharmacology</keyword></keywords><dates><year>1993</year><pub-dates><date>Jan 12</date></pub-dates></dates><isbn>0006-2960 (Print)&#xD;0006-2960 (Linking)</isbn><accession-num>8418860</accession-num><urls><related-urls><url>;[1]2,2',4,4'-Tetrahydroxybenzophenone131-55-5active17379648PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5TY2htdXR6bGVyPC9BdXRob3I+PFllYXI+MjAwNzwvWWVh

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ADDIN EN.CITE.DATA [2]2,3-Dihydroxypyridine16867-04-2activeEnvironmental Goitrogenesis ADDIN EN.CITE <EndNote><Cite><Author>Gaitan</Author><Year>1989</Year><RecNum>108</RecNum><DisplayText>[3]</DisplayText><record><rec-number>108</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442538744">108</key></foreign-keys><ref-type name="Book">6</ref-type><contributors><authors><author>Gaitan, E.</author></authors></contributors><titles><title>Environmental Goitrogenesis</title></titles><pages>264</pages><dates><year>1989</year></dates><publisher>CRC Press Taylor and Francis Group</publisher><isbn>9780849367281</isbn><urls></urls></record></Cite></EndNote>[3]2,4,-Dihydroxybenzophenone131-56-6active22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [5]5,5-?Dimethyl-?1-?Hydroxymethylhydantoin116-25-6activeUnpublishedNA5-Chloro-2-mercaptobenzothiazole5331-91-9active25953703 ADDIN EN.CITE <EndNote><Cite><Author>Hornung</Author><Year>2015</Year><RecNum>109</RecNum><DisplayText>[6]</DisplayText><record><rec-number>109</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442539087">109</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Hornung, M. W.</author><author>Kosian, P. A.</author><author>Haselman, J. T.</author><author>Korte, J. J.</author><author>Challis, K.</author><author>Macherla, C.</author><author>Nevalainen, E.</author><author>Degitz, S. J.</author></authors></contributors><auth-address>US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota hornung.michael@.&#xD;US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota.</auth-address><titles><title>In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles</title><secondary-title>Toxicol Sci</secondary-title><alt-title>Toxicological sciences : an official journal of the Society of Toxicology</alt-title></titles><periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></periodical><alt-periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></alt-periodical><pages>254-64</pages><volume>146</volume><number>2</number><dates><year>2015</year><pub-dates><date>Aug</date></pub-dates></dates><isbn>1096-0929 (Electronic)&#xD;1096-0929 (Linking)</isbn><accession-num>25953703</accession-num><urls><related-urls><url>;[6]5-nitro-2-mercaptobenzimidazole6325-91-3active3768307 ADDIN EN.CITE <EndNote><Cite><Author>Doerge</Author><Year>1986</Year><RecNum>110</RecNum><DisplayText>[7]</DisplayText><record><rec-number>110</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442539113">110</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Doerge, D. 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ADDIN EN.CITE.DATA [4]Benzothiazole95-16-9active25953703 ADDIN EN.CITE <EndNote><Cite><Author>Hornung</Author><Year>2015</Year><RecNum>109</RecNum><DisplayText>[6]</DisplayText><record><rec-number>109</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442539087">109</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Hornung, M. W.</author><author>Kosian, P. A.</author><author>Haselman, J. T.</author><author>Korte, J. J.</author><author>Challis, K.</author><author>Macherla, C.</author><author>Nevalainen, E.</author><author>Degitz, S. J.</author></authors></contributors><auth-address>US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota hornung.michael@.&#xD;US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota.</auth-address><titles><title>In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles</title><secondary-title>Toxicol Sci</secondary-title><alt-title>Toxicological sciences : an official journal of the Society of Toxicology</alt-title></titles><periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></periodical><alt-periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></alt-periodical><pages>254-64</pages><volume>146</volume><number>2</number><dates><year>2015</year><pub-dates><date>Aug</date></pub-dates></dates><isbn>1096-0929 (Electronic)&#xD;1096-0929 (Linking)</isbn><accession-num>25953703</accession-num><urls><related-urls><url>;[6]Bisphenol A80-05-7active17379648PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5TY2htdXR6bGVyPC9BdXRob3I+PFllYXI+MjAwNzwvWWVh

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ADDIN EN.CITE.DATA [4]Cyanamide420-04-2active436767 ADDIN EN.CITE <EndNote><Cite><Author>Davidson</Author><Year>1979</Year><RecNum>113</RecNum><DisplayText>[9]</DisplayText><record><rec-number>113</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540458">113</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Davidson, B.</author><author>Soodak, M.</author><author>Strout, H. V.</author><author>Neary, J. T.</author><author>Nakamura, C.</author><author>Maloof, F.</author></authors></contributors><titles><title>Thiourea and cyanamide as inhibitors of thyroid peroxidase: the role of iodide</title><secondary-title>Endocrinology</secondary-title><alt-title>Endocrinology</alt-title></titles><periodical><full-title>Endocrinology</full-title><abbr-1>Endocrinology</abbr-1></periodical><alt-periodical><full-title>Endocrinology</full-title><abbr-1>Endocrinology</abbr-1></alt-periodical><pages>919-24</pages><volume>104</volume><number>4</number><keywords><keyword>Animals</keyword><keyword>Cyanamide/*pharmacology</keyword><keyword>Cyanides/*pharmacology</keyword><keyword>Guaiacol/pharmacology</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors</keyword><keyword>Iodides/*pharmacology</keyword><keyword>Kinetics</keyword><keyword>Male</keyword><keyword>Peroxidases/*antagonists &amp; inhibitors</keyword><keyword>Rats</keyword><keyword>Thiourea/*pharmacology</keyword><keyword>Thyroid Gland/*enzymology</keyword></keywords><dates><year>1979</year><pub-dates><date>Apr</date></pub-dates></dates><isbn>0013-7227 (Print)&#xD;0013-7227 (Linking)</isbn><accession-num>436767</accession-num><urls><related-urls><url>;[9]Daidzein486-66-8active9464451 ADDIN EN.CITE <EndNote><Cite><Author>Divi</Author><Year>1997</Year><RecNum>117</RecNum><DisplayText>[10]</DisplayText><record><rec-number>117</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540659">117</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Divi, R. L.</author><author>Chang, H. C.</author><author>Doerge, D. R.</author></authors></contributors><auth-address>National Center for Toxicological Research, Jefferson, AR 72079, USA.</auth-address><titles><title>Anti-thyroid isoflavones from soybean: isolation, characterization, and mechanisms of action</title><secondary-title>Biochem Pharmacol</secondary-title><alt-title>Biochemical pharmacology</alt-title></titles><periodical><full-title>Biochem Pharmacol</full-title><abbr-1>Biochemical pharmacology</abbr-1></periodical><alt-periodical><full-title>Biochem Pharmacol</full-title><abbr-1>Biochemical pharmacology</abbr-1></alt-periodical><pages>1087-96</pages><volume>54</volume><number>10</number><keywords><keyword>Antithyroid Agents/*pharmacology</keyword><keyword>Humans</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors</keyword><keyword>Isoflavones/*pharmacology</keyword><keyword>Soybeans/*chemistry</keyword></keywords><dates><year>1997</year><pub-dates><date>Nov 15</date></pub-dates></dates><isbn>0006-2952 (Print)&#xD;0006-2952 (Linking)</isbn><accession-num>9464451</accession-num><urls><related-urls><url>;[10]Ethylenethiourea96-45-7active2130946 ADDIN EN.CITE <EndNote><Cite><Author>Doerge</Author><Year>1990</Year><RecNum>115</RecNum><DisplayText>[11]</DisplayText><record><rec-number>115</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540518">115</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Doerge, D. R.</author><author>Takazawa, R. S.</author></authors></contributors><auth-address>Department of Agricultural Biochemistry, University of Hawaii, Honolulu 96822.</auth-address><titles><title>Mechanism of thyroid peroxidase inhibition by ethylenethiourea</title><secondary-title>Chem Res Toxicol</secondary-title><alt-title>Chemical research in toxicology</alt-title></titles><periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></periodical><alt-periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></alt-periodical><pages>98-101</pages><volume>3</volume><number>2</number><keywords><keyword>Carbon Radioisotopes/diagnostic use</keyword><keyword>Chromatography, High Pressure Liquid</keyword><keyword>Ethylenethiourea/*toxicity</keyword><keyword>Hydrogen Peroxide/metabolism</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors/metabolism</keyword><keyword>Iodine/metabolism</keyword><keyword>Oxidation-Reduction</keyword></keywords><dates><year>1990</year><pub-dates><date>Mar-Apr</date></pub-dates></dates><isbn>0893-228X (Print)&#xD;0893-228X (Linking)</isbn><accession-num>2130946</accession-num><urls><related-urls><url>;[11]F21388NoCasactive17379648PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5TY2htdXR6bGVyPC9BdXRob3I+PFllYXI+MjAwNzwvWWVh

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ADDIN EN.CITE.DATA [2]Genistein446-72-0active9464451 ADDIN EN.CITE <EndNote><Cite><Author>Divi</Author><Year>1997</Year><RecNum>117</RecNum><DisplayText>[10]</DisplayText><record><rec-number>117</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540659">117</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Divi, R. L.</author><author>Chang, H. C.</author><author>Doerge, D. R.</author></authors></contributors><auth-address>National Center for Toxicological Research, Jefferson, AR 72079, USA.</auth-address><titles><title>Anti-thyroid isoflavones from soybean: isolation, characterization, and mechanisms of action</title><secondary-title>Biochem Pharmacol</secondary-title><alt-title>Biochemical pharmacology</alt-title></titles><periodical><full-title>Biochem Pharmacol</full-title><abbr-1>Biochemical pharmacology</abbr-1></periodical><alt-periodical><full-title>Biochem Pharmacol</full-title><abbr-1>Biochemical pharmacology</abbr-1></alt-periodical><pages>1087-96</pages><volume>54</volume><number>10</number><keywords><keyword>Antithyroid Agents/*pharmacology</keyword><keyword>Humans</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors</keyword><keyword>Isoflavones/*pharmacology</keyword><keyword>Soybeans/*chemistry</keyword></keywords><dates><year>1997</year><pub-dates><date>Nov 15</date></pub-dates></dates><isbn>0006-2952 (Print)&#xD;0006-2952 (Linking)</isbn><accession-num>9464451</accession-num><urls><related-urls><url>;[10]Goitrin13190-34-6activeFrontiers in Thyroidology ADDIN EN.CITE <EndNote><Cite><Author>Alexander</Author><Year>1986</Year><RecNum>118</RecNum><DisplayText>[12]</DisplayText><record><rec-number>118</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540893">118</key></foreign-keys><ref-type name="Book Section">5</ref-type><contributors><authors><author>Alexander, N.M.</author><author>Zenker, Nicolas</author></authors></contributors><titles><title>Inhibition of Thyroid Peroxidase (TPO) and Lactoperoxidase (LPO) by Goitrin and Ricinine</title><secondary-title>Frontiers in Thyroidology</secondary-title></titles><pages>607-612</pages><volume>1</volume><dates><year>1986</year></dates><publisher>Springer US</publisher><isbn>978-1-4684-5260-0</isbn><urls></urls><electronic-resource-num>10.1007/978-1-4684-5260-0_110</electronic-resource-num></record></Cite></EndNote>[12]Leucomalachite Green129-73-7active9760285 ADDIN EN.CITE <EndNote><Cite><Author>Doerge</Author><Year>1998</Year><RecNum>119</RecNum><DisplayText>[13]</DisplayText><record><rec-number>119</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540954">119</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Doerge, D. R.</author><author>Chang, H. C.</author><author>Divi, R. L.</author><author>Churchwell, M. I.</author></authors></contributors><auth-address>Division of Chemistry, National Center for Toxicological Research, Jefferson, Arkansas 72079, USA. ddoerge@nctr.</auth-address><titles><title>Mechanism for inhibition of thyroid peroxidase by leucomalachite green</title><secondary-title>Chem Res Toxicol</secondary-title><alt-title>Chemical research in toxicology</alt-title></titles><periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></periodical><alt-periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></alt-periodical><pages>1098-104</pages><volume>11</volume><number>9</number><keywords><keyword>Aniline Compounds/*pharmacology</keyword><keyword>Animals</keyword><keyword>Coloring Agents/metabolism/*pharmacology</keyword><keyword>Enzyme Inhibitors/*pharmacology</keyword><keyword>Humans</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors</keyword><keyword>Iodine/metabolism</keyword><keyword>Oxidation-Reduction</keyword><keyword>Rats</keyword><keyword>Rosaniline Dyes/metabolism</keyword><keyword>Thyroid Hormones/biosynthesis</keyword><keyword>Tyrosine/metabolism</keyword></keywords><dates><year>1998</year><pub-dates><date>Sep</date></pub-dates></dates><isbn>0893-228X (Print)&#xD;0893-228X (Linking)</isbn><accession-num>9760285</accession-num><urls><related-urls><url>;[13]Mercury chloride7487-94-7active2703707PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5OaXNoaWRhPC9BdXRob3I+PFllYXI+MTk4OTwvWWVhcj48

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ADDIN EN.CITE.DATA [16]Naringenin67604-48-2active8924586 ADDIN EN.CITE <EndNote><Cite><Author>Divi</Author><Year>1996</Year><RecNum>124</RecNum><DisplayText>[17]</DisplayText><record><rec-number>124</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541124">124</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Divi, R. L.</author><author>Doerge, D. R.</author></authors></contributors><auth-address>National Center for Toxicological Research, Jefferson, Arkansas 72079, USA.</auth-address><titles><title>Inhibition of thyroid peroxidase by dietary flavonoids</title><secondary-title>Chem Res Toxicol</secondary-title><alt-title>Chemical research in toxicology</alt-title></titles><periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></periodical><alt-periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></alt-periodical><pages>16-23</pages><volume>9</volume><number>1</number><keywords><keyword>Animals</keyword><keyword>Catalysis</keyword><keyword>*Diet</keyword><keyword>*Flavanones</keyword><keyword>Flavonoids/*toxicity</keyword><keyword>*Genistein</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors/*drug effects/pharmacology</keyword><keyword>Iodine/chemistry</keyword><keyword>Isoflavones/chemistry/toxicity</keyword><keyword>Kinetics</keyword><keyword>Mass Spectrometry</keyword><keyword>Quercetin/toxicity</keyword><keyword>Swine</keyword><keyword>Thyroid Gland/drug effects/*enzymology</keyword><keyword>Tyrosine/chemistry</keyword></keywords><dates><year>1996</year><pub-dates><date>Jan-Feb</date></pub-dates></dates><isbn>0893-228X (Print)&#xD;0893-228X (Linking)</isbn><accession-num>8924586</accession-num><urls><related-urls><url>;[17]Perfluorooctane sulfonate1763-23-1active22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [4]Quercetin117-39-5active8924586 ADDIN EN.CITE <EndNote><Cite><Author>Divi</Author><Year>1996</Year><RecNum>124</RecNum><DisplayText>[17]</DisplayText><record><rec-number>124</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541124">124</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Divi, R. L.</author><author>Doerge, D. R.</author></authors></contributors><auth-address>National Center for Toxicological Research, Jefferson, Arkansas 72079, USA.</auth-address><titles><title>Inhibition of thyroid peroxidase by dietary flavonoids</title><secondary-title>Chem Res Toxicol</secondary-title><alt-title>Chemical research in toxicology</alt-title></titles><periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></periodical><alt-periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></alt-periodical><pages>16-23</pages><volume>9</volume><number>1</number><keywords><keyword>Animals</keyword><keyword>Catalysis</keyword><keyword>*Diet</keyword><keyword>*Flavanones</keyword><keyword>Flavonoids/*toxicity</keyword><keyword>*Genistein</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors/*drug effects/pharmacology</keyword><keyword>Iodine/chemistry</keyword><keyword>Isoflavones/chemistry/toxicity</keyword><keyword>Kinetics</keyword><keyword>Mass Spectrometry</keyword><keyword>Quercetin/toxicity</keyword><keyword>Swine</keyword><keyword>Thyroid Gland/drug effects/*enzymology</keyword><keyword>Tyrosine/chemistry</keyword></keywords><dates><year>1996</year><pub-dates><date>Jan-Feb</date></pub-dates></dates><isbn>0893-228X (Print)&#xD;0893-228X (Linking)</isbn><accession-num>8924586</accession-num><urls><related-urls><url>;[17]Resorcinol108-46-3active8068644 ADDIN EN.CITE <EndNote><Cite><Author>Divi</Author><Year>1994</Year><RecNum>17</RecNum><DisplayText>[18]</DisplayText><record><rec-number>17</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1441828388">17</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Divi, R. L.</author><author>Doerge, D. R.</author></authors></contributors><auth-address>National Center for Toxicological Research, Jefferson, Arkansas 72079.</auth-address><titles><title>Mechanism-based inactivation of lactoperoxidase and thyroid peroxidase by resorcinol derivatives</title><secondary-title>Biochemistry</secondary-title><alt-title>Biochemistry</alt-title></titles><periodical><full-title>Biochemistry</full-title><abbr-1>Biochemistry</abbr-1></periodical><alt-periodical><full-title>Biochemistry</full-title><abbr-1>Biochemistry</abbr-1></alt-periodical><pages>9668-74</pages><volume>33</volume><number>32</number><keywords><keyword>Dose-Response Relationship, Drug</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors/metabolism</keyword><keyword>Lactoperoxidase/*antagonists &amp; inhibitors/metabolism</keyword><keyword>Models, Biological</keyword><keyword>Peroxidases/drug effects</keyword><keyword>Resorcinols/*pharmacology</keyword></keywords><dates><year>1994</year><pub-dates><date>Aug 16</date></pub-dates></dates><isbn>0006-2960 (Print)&#xD;0006-2960 (Linking)</isbn><accession-num>8068644</accession-num><urls><related-urls><url>;[18]Ricinine524-40-3activeFrontiers in Thyroidology ADDIN EN.CITE <EndNote><Cite><Author>Alexander</Author><Year>1986</Year><RecNum>118</RecNum><DisplayText>[12]</DisplayText><record><rec-number>118</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540893">118</key></foreign-keys><ref-type name="Book Section">5</ref-type><contributors><authors><author>Alexander, N.M.</author><author>Zenker, Nicolas</author></authors></contributors><titles><title>Inhibition of Thyroid Peroxidase (TPO) and Lactoperoxidase (LPO) by Goitrin and Ricinine</title><secondary-title>Frontiers in Thyroidology</secondary-title></titles><pages>607-612</pages><volume>1</volume><dates><year>1986</year></dates><publisher>Springer US</publisher><isbn>978-1-4684-5260-0</isbn><urls></urls><electronic-resource-num>10.1007/978-1-4684-5260-0_110</electronic-resource-num></record></Cite></EndNote>[12]Salicylhydroxamic acid89-73-6active1847381PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Ja2VkYS1TYWl0bzwvQXV0aG9yPjxZZWFyPjE5OTE8L1ll

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ADDIN EN.CITE.DATA [19]Sodium thiocyanate540-72-7active33640 ADDIN EN.CITE <EndNote><Cite><Author>Tenovuo</Author><Year>1978</Year><RecNum>127</RecNum><DisplayText>[20]</DisplayText><record><rec-number>127</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541413">127</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Tenovuo, J.</author></authors></contributors><titles><title>Inhibition by thiocyanate of lactoperoxidase-catalysed oxidation and iodination reactions</title><secondary-title>Arch Oral Biol</secondary-title><alt-title>Archives of oral biology</alt-title></titles><periodical><full-title>Arch Oral Biol</full-title><abbr-1>Archives of oral biology</abbr-1></periodical><alt-periodical><full-title>Arch Oral Biol</full-title><abbr-1>Archives of oral biology</abbr-1></alt-periodical><pages>899-903</pages><volume>23</volume><number>10</number><keywords><keyword>Cyanides/pharmacology</keyword><keyword>Guaiacol</keyword><keyword>Hydrogen-Ion Concentration</keyword><keyword>Iodides</keyword><keyword>Lactoperoxidase/*antagonists &amp; inhibitors</keyword><keyword>Oxidation-Reduction/drug effects</keyword><keyword>Peroxidases/*antagonists &amp; inhibitors</keyword><keyword>Thiocyanates/*pharmacology</keyword><keyword>Time Factors</keyword><keyword>Tyrosine</keyword></keywords><dates><year>1978</year></dates><isbn>0003-9969 (Print)&#xD;0003-9969 (Linking)</isbn><accession-num>33640</accession-num><urls><related-urls><url>;[20]Sulfamethazine57-68-1active8199304 ADDIN EN.CITE <EndNote><Cite><Author>Doerge</Author><Year>1994</Year><RecNum>128</RecNum><DisplayText>[21]</DisplayText><record><rec-number>128</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541452">128</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Doerge, D. R.</author><author>Decker, C. J.</author></authors></contributors><auth-address>Division of Biochemical Toxicology, National Center for Toxicological Research, Jefferson, Arkansas 72079.</auth-address><titles><title>Inhibition of peroxidase-catalyzed reactions by arylamines: mechanism for the anti-thyroid action of sulfamethazine</title><secondary-title>Chem Res Toxicol</secondary-title><alt-title>Chemical research in toxicology</alt-title></titles><periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></periodical><alt-periodical><full-title>Chem Res Toxicol</full-title><abbr-1>Chemical research in toxicology</abbr-1></alt-periodical><pages>164-9</pages><volume>7</volume><number>2</number><keywords><keyword>Amines/*pharmacology</keyword><keyword>Carcinogens/*pharmacology</keyword><keyword>Iodide Peroxidase/antagonists &amp; inhibitors</keyword><keyword>Lactoperoxidase/antagonists &amp; inhibitors</keyword><keyword>Peroxidases/*antagonists &amp; inhibitors</keyword><keyword>Sulfamethazine/*pharmacology</keyword><keyword>Thyroid Gland/*drug effects/enzymology</keyword></keywords><dates><year>1994</year><pub-dates><date>Mar-Apr</date></pub-dates></dates><isbn>0893-228X (Print)&#xD;0893-228X (Linking)</isbn><accession-num>8199304</accession-num><urls><related-urls><url>;[21]Sunitinib341031-54-7active17465866PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Xb25nPC9BdXRob3I+PFllYXI+MjAwNzwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [22]Thiourea62-56-6active436767 ADDIN EN.CITE <EndNote><Cite><Author>Davidson</Author><Year>1979</Year><RecNum>113</RecNum><DisplayText>[9]</DisplayText><record><rec-number>113</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442540458">113</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Davidson, B.</author><author>Soodak, M.</author><author>Strout, H. V.</author><author>Neary, J. T.</author><author>Nakamura, C.</author><author>Maloof, F.</author></authors></contributors><titles><title>Thiourea and cyanamide as inhibitors of thyroid peroxidase: the role of iodide</title><secondary-title>Endocrinology</secondary-title><alt-title>Endocrinology</alt-title></titles><periodical><full-title>Endocrinology</full-title><abbr-1>Endocrinology</abbr-1></periodical><alt-periodical><full-title>Endocrinology</full-title><abbr-1>Endocrinology</abbr-1></alt-periodical><pages>919-24</pages><volume>104</volume><number>4</number><keywords><keyword>Animals</keyword><keyword>Cyanamide/*pharmacology</keyword><keyword>Cyanides/*pharmacology</keyword><keyword>Guaiacol/pharmacology</keyword><keyword>Iodide Peroxidase/*antagonists &amp; inhibitors</keyword><keyword>Iodides/*pharmacology</keyword><keyword>Kinetics</keyword><keyword>Male</keyword><keyword>Peroxidases/*antagonists &amp; inhibitors</keyword><keyword>Rats</keyword><keyword>Thiourea/*pharmacology</keyword><keyword>Thyroid Gland/*enzymology</keyword></keywords><dates><year>1979</year><pub-dates><date>Apr</date></pub-dates></dates><isbn>0013-7227 (Print)&#xD;0013-7227 (Linking)</isbn><accession-num>436767</accession-num><urls><related-urls><url>;[9]Zineb12122-67-7active9248629 ADDIN EN.CITE <EndNote><Cite><Author>Marinovich</Author><Year>1997</Year><RecNum>130</RecNum><DisplayText>[23]</DisplayText><record><rec-number>130</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541572">130</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Marinovich, M.</author><author>Guizzetti, M.</author><author>Ghilardi, F.</author><author>Viviani, B.</author><author>Corsini, E.</author><author>Galli, C. L.</author></authors></contributors><auth-address>Laboratory of Toxicology, University of Milan, Italy.</auth-address><titles><title>Thyroid peroxidase as toxicity target for dithiocarbamates</title><secondary-title>Arch Toxicol</secondary-title><alt-title>Archives of toxicology</alt-title></titles><periodical><full-title>Arch Toxicol</full-title><abbr-1>Archives of toxicology</abbr-1></periodical><alt-periodical><full-title>Arch Toxicol</full-title><abbr-1>Archives of toxicology</abbr-1></alt-periodical><pages>508-12</pages><volume>71</volume><number>8</number><keywords><keyword>Animals</keyword><keyword>Antithyroid Agents/pharmacology</keyword><keyword>CHO Cells</keyword><keyword>Cells, Cultured</keyword><keyword>Cricetinae</keyword><keyword>Expectorants/metabolism</keyword><keyword>Guaiacol/metabolism</keyword><keyword>Humans</keyword><keyword>Iodide Peroxidase/antagonists &amp; inhibitors/genetics/*metabolism</keyword><keyword>Iodine/metabolism</keyword><keyword>L-Lactate Dehydrogenase/metabolism</keyword><keyword>Methimazole/pharmacology</keyword><keyword>Oxidation-Reduction</keyword><keyword>Thiocarbamates/*toxicity</keyword><keyword>Transfection</keyword></keywords><dates><year>1997</year></dates><isbn>0340-5761 (Print)&#xD;0340-5761 (Linking)</isbn><accession-num>9248629</accession-num><urls><related-urls><url>;[23]Ziram137-30-4active9248629 ADDIN EN.CITE <EndNote><Cite><Author>Marinovich</Author><Year>1997</Year><RecNum>130</RecNum><DisplayText>[23]</DisplayText><record><rec-number>130</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541572">130</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Marinovich, M.</author><author>Guizzetti, M.</author><author>Ghilardi, F.</author><author>Viviani, B.</author><author>Corsini, E.</author><author>Galli, C. L.</author></authors></contributors><auth-address>Laboratory of Toxicology, University of Milan, Italy.</auth-address><titles><title>Thyroid peroxidase as toxicity target for dithiocarbamates</title><secondary-title>Arch Toxicol</secondary-title><alt-title>Archives of toxicology</alt-title></titles><periodical><full-title>Arch Toxicol</full-title><abbr-1>Archives of toxicology</abbr-1></periodical><alt-periodical><full-title>Arch Toxicol</full-title><abbr-1>Archives of toxicology</abbr-1></alt-periodical><pages>508-12</pages><volume>71</volume><number>8</number><keywords><keyword>Animals</keyword><keyword>Antithyroid Agents/pharmacology</keyword><keyword>CHO Cells</keyword><keyword>Cells, Cultured</keyword><keyword>Cricetinae</keyword><keyword>Expectorants/metabolism</keyword><keyword>Guaiacol/metabolism</keyword><keyword>Humans</keyword><keyword>Iodide Peroxidase/antagonists &amp; inhibitors/genetics/*metabolism</keyword><keyword>Iodine/metabolism</keyword><keyword>L-Lactate Dehydrogenase/metabolism</keyword><keyword>Methimazole/pharmacology</keyword><keyword>Oxidation-Reduction</keyword><keyword>Thiocarbamates/*toxicity</keyword><keyword>Transfection</keyword></keywords><dates><year>1997</year></dates><isbn>0340-5761 (Print)&#xD;0340-5761 (Linking)</isbn><accession-num>9248629</accession-num><urls><related-urls><url>;[23]1,3-Dimethylbenzimidazoline-2-thione3418-46-0inactive8418860 ADDIN EN.CITE <EndNote><Cite><Author>Doerge</Author><Year>1993</Year><RecNum>104</RecNum><DisplayText>[1]</DisplayText><record><rec-number>104</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442538419">104</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Doerge, D. R.</author><author>Decker, C. J.</author><author>Takazawa, R. S.</author></authors></contributors><auth-address>Division of Biochemical Toxicology, National Center for Toxicological Research, Jefferson, Arkansas 72079.</auth-address><titles><title>Chemical and enzymatic oxidation of benzimidazoline-2-thiones: a dichotomy in the mechanism of peroxidase inhibition</title><secondary-title>Biochemistry</secondary-title><alt-title>Biochemistry</alt-title></titles><periodical><full-title>Biochemistry</full-title><abbr-1>Biochemistry</abbr-1></periodical><alt-periodical><full-title>Biochemistry</full-title><abbr-1>Biochemistry</abbr-1></alt-periodical><pages>58-65</pages><volume>32</volume><number>1</number><keywords><keyword>Benzimidazoles/chemistry/*metabolism/pharmacology</keyword><keyword>Chlorobenzoates/chemistry</keyword><keyword>Hyperthyroidism/drug therapy</keyword><keyword>Iodide Peroxidase/antagonists &amp; inhibitors</keyword><keyword>Kinetics</keyword><keyword>Lactoperoxidase/antagonists &amp; inhibitors</keyword><keyword>Magnetic Resonance Spectroscopy</keyword><keyword>Molecular Structure</keyword><keyword>Oxidation-Reduction</keyword><keyword>Peroxidases/*antagonists &amp; inhibitors</keyword><keyword>Spectrometry, Mass, Fast Atom Bombardment</keyword><keyword>Thiones/chemistry/*metabolism/pharmacology</keyword></keywords><dates><year>1993</year><pub-dates><date>Jan 12</date></pub-dates></dates><isbn>0006-2960 (Print)&#xD;0006-2960 (Linking)</isbn><accession-num>8418860</accession-num><urls><related-urls><url>;[1]1h-Imidazole-1-ethanol,_2-(8-heptadecenyl)-4,5-dihydro-95-38-5inactiveUnpublishedNA2-(2-Hydroxy-5-methylphenyl)benzotriazole2440-22-4inactiveUnpublishedNA2,2'-Dihydroxy 4-methoxybenzophenone131-53-3inactive22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [5]4-Propylphenol645-56-7inactiveUnpublishedNAAcetylsalicylic acid50-78-2inactive8381669 ADDIN EN.CITE <EndNote><Cite><Author>Chatterjee</Author><Year>1993</Year><RecNum>131</RecNum><DisplayText>[24]</DisplayText><record><rec-number>131</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442542032">131</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Chatterjee, R.</author><author>Bandyopadhyay, U.</author><author>Bhattacharyya, D.</author><author>Banerjee, R. K.</author></authors></contributors><auth-address>Department of Physiology, Indian Institute of Chemical Biology, Calcutta.</auth-address><titles><title>Inhibition of intestinal peroxidase activity by nonsteroidal antiinflammatory drugs</title><secondary-title>Biochim Biophys Acta</secondary-title><alt-title>Biochimica et biophysica acta</alt-title></titles><periodical><full-title>Biochim Biophys Acta</full-title><abbr-1>Biochimica et biophysica acta</abbr-1></periodical><alt-periodical><full-title>Biochim Biophys Acta</full-title><abbr-1>Biochimica et biophysica acta</abbr-1></alt-periodical><pages>168-76</pages><volume>1161</volume><number>2-3</number><keywords><keyword>Animals</keyword><keyword>Anti-Inflammatory Agents, Non-Steroidal/*pharmacology</keyword><keyword>Cattle</keyword><keyword>Electrophoresis, Polyacrylamide Gel</keyword><keyword>Hydrogen-Ion Concentration</keyword><keyword>Indomethacin/pharmacology</keyword><keyword>Intestines/*enzymology</keyword><keyword>Kinetics</keyword><keyword>Oxidation-Reduction</keyword><keyword>Peroxidase/*antagonists &amp; inhibitors/metabolism</keyword><keyword>Rats</keyword><keyword>Rats, Sprague-Dawley</keyword></keywords><dates><year>1993</year><pub-dates><date>Feb 13</date></pub-dates></dates><isbn>0006-3002 (Print)&#xD;0006-3002 (Linking)</isbn><accession-num>8381669</accession-num><urls><related-urls><url>;[24]Amiodarone19774-82-4inactiveUnpublishedNABenzhydrol91-01-0inactive22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [4]Benzophenone 119-61-9inactiveUnpublishedNABenzylbutylphthalate85-68-7inactiveUnpublishedNABis(2,2,6,6-tetramethyl-4-piperidyl) sebacate 52829-07-9inactiveUnpublishedNAButyl salicylate2052-14-4inactiveUnpublishedNACarbamazepine 298-46-4inactive3447884 ADDIN EN.CITE <EndNote><Cite><Author>Villa</Author><Year>1987</Year><RecNum>132</RecNum><DisplayText>[25]</DisplayText><record><rec-number>132</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442542442">132</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Villa, S. M.</author><author>Alexander, N. M.</author></authors></contributors><auth-address>Department of Pathology, University of California, San Diego School of Medicine 92103.</auth-address><titles><title>Carbamazepine (Tegretol) inhibits in vivo iodide uptake and hormone synthesis in rat thyroid glands</title><secondary-title>Endocr Res</secondary-title><alt-title>Endocrine research</alt-title></titles><periodical><full-title>Endocr Res</full-title><abbr-1>Endocrine research</abbr-1></periodical><alt-periodical><full-title>Endocr Res</full-title><abbr-1>Endocrine research</abbr-1></alt-periodical><pages>385-97</pages><volume>13</volume><number>4</number><keywords><keyword>Animals</keyword><keyword>Carbamazepine/*pharmacology</keyword><keyword>Iodine/*metabolism</keyword><keyword>Iodine Radioisotopes/diagnostic use</keyword><keyword>Male</keyword><keyword>Rats</keyword><keyword>Rats, Inbred Strains</keyword><keyword>Thyroid Gland/drug effects/*metabolism</keyword><keyword>Thyroid Hormones/*biosynthesis</keyword></keywords><dates><year>1987</year></dates><isbn>0743-5800 (Print)&#xD;0743-5800 (Linking)</isbn><accession-num>3447884</accession-num><urls><related-urls><url>;[25]Chlordane5103-71-9inactive22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [4]Hexachlorobenzene118-74-1inactive22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [4]Hydroxybenzothiazole934-34-9inactive25953703 ADDIN EN.CITE <EndNote><Cite><Author>Hornung</Author><Year>2015</Year><RecNum>109</RecNum><DisplayText>[6]</DisplayText><record><rec-number>109</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442539087">109</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Hornung, M. W.</author><author>Kosian, P. A.</author><author>Haselman, J. T.</author><author>Korte, J. J.</author><author>Challis, K.</author><author>Macherla, C.</author><author>Nevalainen, E.</author><author>Degitz, S. J.</author></authors></contributors><auth-address>US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota hornung.michael@.&#xD;US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota.</auth-address><titles><title>In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles</title><secondary-title>Toxicol Sci</secondary-title><alt-title>Toxicological sciences : an official journal of the Society of Toxicology</alt-title></titles><periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></periodical><alt-periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></alt-periodical><pages>254-64</pages><volume>146</volume><number>2</number><dates><year>2015</year><pub-dates><date>Aug</date></pub-dates></dates><isbn>1096-0929 (Electronic)&#xD;1096-0929 (Linking)</isbn><accession-num>25953703</accession-num><urls><related-urls><url>;[6]Indomethacin53-86-1inactive8381669 ADDIN EN.CITE <EndNote><Cite><Author>Chatterjee</Author><Year>1993</Year><RecNum>131</RecNum><DisplayText>[24]</DisplayText><record><rec-number>131</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442542032">131</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Chatterjee, R.</author><author>Bandyopadhyay, U.</author><author>Bhattacharyya, D.</author><author>Banerjee, R. K.</author></authors></contributors><auth-address>Department of Physiology, Indian Institute of Chemical Biology, Calcutta.</auth-address><titles><title>Inhibition of intestinal peroxidase activity by nonsteroidal antiinflammatory drugs</title><secondary-title>Biochim Biophys Acta</secondary-title><alt-title>Biochimica et biophysica acta</alt-title></titles><periodical><full-title>Biochim Biophys Acta</full-title><abbr-1>Biochimica et biophysica acta</abbr-1></periodical><alt-periodical><full-title>Biochim Biophys Acta</full-title><abbr-1>Biochimica et biophysica acta</abbr-1></alt-periodical><pages>168-76</pages><volume>1161</volume><number>2-3</number><keywords><keyword>Animals</keyword><keyword>Anti-Inflammatory Agents, Non-Steroidal/*pharmacology</keyword><keyword>Cattle</keyword><keyword>Electrophoresis, Polyacrylamide Gel</keyword><keyword>Hydrogen-Ion Concentration</keyword><keyword>Indomethacin/pharmacology</keyword><keyword>Intestines/*enzymology</keyword><keyword>Kinetics</keyword><keyword>Oxidation-Reduction</keyword><keyword>Peroxidase/*antagonists &amp; inhibitors/metabolism</keyword><keyword>Rats</keyword><keyword>Rats, Sprague-Dawley</keyword></keywords><dates><year>1993</year><pub-dates><date>Feb 13</date></pub-dates></dates><isbn>0006-3002 (Print)&#xD;0006-3002 (Linking)</isbn><accession-num>8381669</accession-num><urls><related-urls><url>;[24]Iopanoic acid96-83-3inactive23959146PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5QYXVsPC9BdXRob3I+PFllYXI+MjAxMzwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [14]Methylsalicylate119-36-8inactiveUnpublishedNAMethylthiobenzothiazole615-22-5inactive25953703 ADDIN EN.CITE <EndNote><Cite><Author>Hornung</Author><Year>2015</Year><RecNum>109</RecNum><DisplayText>[6]</DisplayText><record><rec-number>109</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442539087">109</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Hornung, M. W.</author><author>Kosian, P. A.</author><author>Haselman, J. T.</author><author>Korte, J. J.</author><author>Challis, K.</author><author>Macherla, C.</author><author>Nevalainen, E.</author><author>Degitz, S. J.</author></authors></contributors><auth-address>US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota hornung.michael@.&#xD;US Environmental Protection Agency, ORD, NHEERL, Mid-Continent Ecology Division, Duluth, Minnesota.</auth-address><titles><title>In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles</title><secondary-title>Toxicol Sci</secondary-title><alt-title>Toxicological sciences : an official journal of the Society of Toxicology</alt-title></titles><periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></periodical><alt-periodical><full-title>Toxicol Sci</full-title><abbr-1>Toxicological sciences : an official journal of the Society of Toxicology</abbr-1></alt-periodical><pages>254-64</pages><volume>146</volume><number>2</number><dates><year>2015</year><pub-dates><date>Aug</date></pub-dates></dates><isbn>1096-0929 (Electronic)&#xD;1096-0929 (Linking)</isbn><accession-num>25953703</accession-num><urls><related-urls><url>;[6]Mirex2385-85-5inactive22699773PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5Tb25nPC9BdXRob3I+PFllYXI+MjAxMjwvWWVhcj48UmVj

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ADDIN EN.CITE.DATA [5]Thiram137-26-8inactive9248629 ADDIN EN.CITE <EndNote><Cite><Author>Marinovich</Author><Year>1997</Year><RecNum>130</RecNum><DisplayText>[23]</DisplayText><record><rec-number>130</rec-number><foreign-keys><key app="EN" db-id="s9pxad0zqzpwsee9exopx909ddpwpwfdsxes" timestamp="1442541572">130</key></foreign-keys><ref-type name="Journal Article">17</ref-type><contributors><authors><author>Marinovich, M.</author><author>Guizzetti, M.</author><author>Ghilardi, F.</author><author>Viviani, B.</author><author>Corsini, E.</author><author>Galli, C. L.</author></authors></contributors><auth-address>Laboratory of Toxicology, University of Milan, Italy.</auth-address><titles><title>Thyroid peroxidase as toxicity target for dithiocarbamates</title><secondary-title>Arch Toxicol</secondary-title><alt-title>Archives of toxicology</alt-title></titles><periodical><full-title>Arch Toxicol</full-title><abbr-1>Archives of toxicology</abbr-1></periodical><alt-periodical><full-title>Arch Toxicol</full-title><abbr-1>Archives of toxicology</abbr-1></alt-periodical><pages>508-12</pages><volume>71</volume><number>8</number><keywords><keyword>Animals</keyword><keyword>Antithyroid Agents/pharmacology</keyword><keyword>CHO Cells</keyword><keyword>Cells, Cultured</keyword><keyword>Cricetinae</keyword><keyword>Expectorants/metabolism</keyword><keyword>Guaiacol/metabolism</keyword><keyword>Humans</keyword><keyword>Iodide Peroxidase/antagonists &amp; inhibitors/genetics/*metabolism</keyword><keyword>Iodine/metabolism</keyword><keyword>L-Lactate Dehydrogenase/metabolism</keyword><keyword>Methimazole/pharmacology</keyword><keyword>Oxidation-Reduction</keyword><keyword>Thiocarbamates/*toxicity</keyword><keyword>Transfection</keyword></keywords><dates><year>1997</year></dates><isbn>0340-5761 (Print)&#xD;0340-5761 (Linking)</isbn><accession-num>9248629</accession-num><urls><related-urls><url>;[23]Triclosan3380-34-5inactive23959146PEVuZE5vdGU+PENpdGU+PEF1dGhvcj5QYXVsPC9BdXRob3I+PFllYXI+MjAxMzwvWWVhcj48UmVj

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Zenker, Inhibition of Thyroid Peroxidase (TPO) and Lactoperoxidase (LPO) by Goitrin and Ricinine, in Frontiers in Thyroidology. 1986, Springer US. p. 607-612.13.Doerge, D.R., et al., Mechanism for inhibition of thyroid peroxidase by leucomalachite green. Chem Res Toxicol, 1998. 11(9): p. 1098-104.14.Nishida, M., et al., Differential effects of methylmercuric chloride and mercuric chloride on the histochemistry of rat thyroid peroxidase and the thyroid peroxidase activity of isolated pig thyroid cells. J Histochem Cytochem, 1989. 37(5): p. 723-7.15.Doerge, D.R., et al., Mechanism for the anti-thyroid action of minocycline. Chem Res Toxicol, 1997. 10(1): p. 49-58.16.Freyberger, A. and H.J. Ahr, Studies on the goitrogenic mechanism of action of N,N,N',N'-tetramethylthiourea. Toxicology, 2006. 217(2-3): p. 169-75.17.Divi, R.L. and D.R. Doerge, Inhibition of thyroid peroxidase by dietary flavonoids. Chem Res Toxicol, 1996. 9(1): p. 16-23.18.Divi, R.L. and D.R. Doerge, Mechanism-based inactivation of lactoperoxidase and thyroid peroxidase by resorcinol derivatives. Biochemistry, 1994. 33(32): p. 9668-74.19.Ikeda-Saito, M., et al., Salicylhydroxamic acid inhibits myeloperoxidase activity. J Biol Chem, 1991. 266(6): p. 3611-6.20.Tenovuo, J., Inhibition by thiocyanate of lactoperoxidase-catalysed oxidation and iodination reactions. Arch Oral Biol, 1978. 23(10): p. 899-903.21.Doerge, D.R. and C.J. Decker, Inhibition of peroxidase-catalyzed reactions by arylamines: mechanism for the anti-thyroid action of sulfamethazine. Chem Res Toxicol, 1994. 7(2): p. 164-9.22.Wong, E., et al., Sunitinib induces hypothyroidism in advanced cancer patients and may inhibit thyroid peroxidase activity. Thyroid, 2007. 17(4): p. 351-5.23.Marinovich, M., et al., Thyroid peroxidase as toxicity target for dithiocarbamates. Arch Toxicol, 1997. 71(8): p. 508-12.24.Chatterjee, R., et al., Inhibition of intestinal peroxidase activity by nonsteroidal antiinflammatory drugs. Biochim Biophys Acta, 1993. 1161(2-3): p. 168-76.25.Villa, S.M. and N.M. Alexander, Carbamazepine (Tegretol) inhibits in vivo iodide uptake and hormone synthesis in rat thyroid glands. Endocr Res, 1987. 13(4): p. 385-97.26.Varela, V., et al., Inhibitory action of dipyrone on rat thyroid peroxidase and lactoperoxidase activities. Acta Physiol Pharmacol Latinoam, 1985. 35(2): p. 259-66.27.Targovnik, H.M., et al., Effects of phenylbutazone on thyroid iodine metabolism in vitro. Acta Endocrinol (Copenh), 1980. 94(1): p. 64-70.Supplemental Table 3. 37 ToxCast cytotoxicity and proliferation assays used to calculate median log modl_acc.The median log modl_acc value of 37 ToxCast cytotoxicity and proliferation assays was used as one of three possible measures of confounding bioactivity to stratify 314 putative TPO inhibitors by selective AUR-TPO activity.AssaySourceAssay TypeSpeciesCell TypeTissue of OriginACEA_T47D_80hr_NegativeACEAProliferationhumanT47DbreastAPR_HepG2_CellLoss_24h_dnApredicaProliferationhumanHepG2liverAPR_HepG2_CellLoss_72h_dnApredicaProliferationhumanHepG2liverBSK_3C_Proliferation_downBioSeekProliferationhumanumbilical vein endotheliumvascularBSK_3C_SRB_downBioSeekCytotoxicityhumanumbilical vein endotheliumvascularBSK_3C_Vis_downBioSeekProliferationhumanumbilical vein endotheliumvascularBSK_4H_SRB_downBioSeekCytotoxicityhumanumbilical vein endotheliumvascularBSK_BE3C_SRB_downBioSeekCytotoxicityhumanbronchial epitheliallungBSK_CASM3C_Proliferation_downBioSeekProliferationhumanumbilical vein endothelium and coronary artery smooth musclevascularBSK_CASM3C_SRB_downBioSeekCytotoxicityhumanumbilical vein endothelium and coronary artery smooth musclevascularBSK_hDFCGF_Proliferation_downBioSeekProliferationhumanforeskin fibroblastskinBSK_hDFCGF_SRB_downBioSeekCytotoxicityhumanforeskin fibroblastskinBSK_KF3CT_SRB_downBioSeekCytotoxicityhumankeratinocyte and foreskin fibroblastskinBSK_LPS_SRB_downBioSeekCytotoxicityhumanumbilical vein endothelium and peripheral blood mononuclearvascularBSK_SAg_PBMCCytotoxicity_downBioSeekCytotoxicityhumanumbilical vein endothelium and peripheral blood mononuclearvascularBSK_SAg_Proliferation_downBioSeekProliferationhumanumbilical vein endothelium and peripheral blood mononuclearvascularBSK_SAg_SRB_downBioSeekCytotoxicityhumanumbilical vein endothelium and peripheral blood mononuclearvascularTox21_AR_BLA_Antagonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_ARE_BLA_agonist_viabilityTox21CytotoxicityhumanHepG2liverTox21_ERa_BLA_Antagonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_ESRE_BLA_viabilityTox21CytotoxicityhumanHeLacervixTox21_FXR_BLA_agonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_FXR_BLA_antagonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_GR_BLA_Antagonist_viabilityTox21CytotoxicityhumanHeLacervixTox21_HSE_BLA_agonist_viabilityTox21CytotoxicityhumanHeLacervixTox21_MitochondrialToxicity_viabilityTox21CytotoxicityhumanHepG2liverTox21_NFkB_BLA_agonist_viabilityTox21CytotoxicityhumanME-180cervixTox21_p53_BLA_p1_viabilityTox21CytotoxicityhumanHCT116intestinalTox21_p53_BLA_p2_viabilityTox21CytotoxicityhumanHCT116intestinalTox21_p53_BLA_p3_viabilityTox21CytotoxicityhumanHCT116intestinalTox21_p53_BLA_p4_viabilityTox21CytotoxicityhumanHCT116intestinalTox21_p53_BLA_p5_viabilityTox21CytotoxicityhumanHCT116intestinalTox21_PPARd_BLA_Agonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_PPARd_BLA_antagonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_PPARg_BLA_antagonist_viabilityTox21CytotoxicityhumanHEK293kidneyTox21_VDR_BLA_Agonist_viabilityTox21CytotoxicityhumanHEK293TkidneyTox21_VDR_BLA_antagonist_viabilityTox21CytotoxicityhumanHEK293TkidneySupplemental Table 4. Differential log IC20 values used to stratify 314 putative TPO inhibitors for selective AUR-TPO activity.Putative TPO inhibitors were stratified by selective AUR-TPO activity using the difference between the log IC20 for the AUR-TPO assay and either (1) the lower log IC20 value of the luciferase inhibition and cytotoxicity assay, or (2) the median log modl_acc value of 37 cytotoxicity and proliferation assays from ToxCast.Chemical NameCASRNSelectivityMethimazole60-56-06.894,4'-Methylenedianiline101-77-96.756-Propyl-2-thiouracil51-52-56.444-Methylaniline106-49-06.432-Mercaptobenzothiazole149-30-46.37Sodium azide26628-22-86.153-Methylaniline108-44-16.10Acibenzolar-S-methyl135158-54-25.984,4'-Oxydianiline101-80-45.932-Anisidine90-04-05.91Isoproterenol hydrochloride51-30-95.814,4'-Methylenebis(2-methylaniline)838-88-05.77Aniline hydrochloride142-04-15.62Isoniazid54-85-35.472-Methoxy-5-methylaniline120-71-85.334-Hexylresorcinol136-77-65.324-Aminobenzoic acid150-13-05.112-Methylaniline95-53-45.032-Methoxy-5-nitroaniline99-59-25.00Carboxin5234-68-44.98Methidathion950-37-84.98(2Z)-3,7-Dimethylocta-2,6-dien-1-ol106-25-24.97Tolazamide1156-19-04.971,3-Benzenediamine108-45-24.952,4,6-Trimethylphenol527-60-64.95Methyl parathion298-00-04.83Eugenol97-53-04.78Dapsone80-08-04.76Isoeugenol97-54-14.7017beta-Estradiol50-28-24.69Fenitrothion122-14-54.66Azamethiphos35575-96-34.642-Naphthalenol135-19-34.63Anthracene120-12-74.53N,N,4-Trimethylaniline99-97-84.5217alpha-Estradiol57-91-04.522,3,6-Trimethylphenol2416-94-64.51Tetracycline60-54-84.50Maneb12427-38-24.42Ethoprop13194-48-44.40Mevinphos7786-34-74.34Thiophanate-methyl23564-05-84.22Diclosulam145701-21-94.21N,N-Dimethylaniline121-69-74.20Formetanate hydrochloride23422-53-94.17Monuron150-68-54.16Dioctyl phthalate117-84-04.15CP-671305445295-04-54.09Dichlorvos62-73-74.07Parathion56-38-24.07Hexaflumuron86479-06-34.04Malaoxon1634-78-24.04Maltol118-71-84.032,6-Dimethylphenol576-26-13.97Fenaminosulf140-56-73.96Mesotrione104206-82-83.91Dimethyl sulfate77-78-13.91Metam-sodium hydrate6734-80-13.89Symclosene87-90-13.89Fenthion55-38-93.88Acephate30560-19-13.87CP-471358NOCAS_472653.85N-Ethyl-3-methylaniline102-27-23.84Folic acid59-30-33.83Isazofos42509-80-83.81Pentachlorophenol87-86-53.80FR900409138472-01-23.79Busulfan55-98-13.78Fenamidone161326-34-73.77Linuron330-55-23.72Terbufos sulfone56070-16-73.70Methamidophos10265-92-63.68EPN2104-64-53.663,7-Dimethyl-2,6-octadienal5392-40-53.63Hydroxyurea127-07-13.61Diuron330-54-13.60(E)-Anethole4180-23-83.60Propanil709-98-83.53Tris(2-ethylhexyl) trimellitate3319-31-13.53Triglycidyl isocyanurate2451-62-93.52Chloramben133-90-43.52Thidiazuron51707-55-23.51SSR162369NOCAS_473463.49Methyl methanesulfonate66-27-33.47Monocrotophos6923-22-43.46Sodium erythorbate (1:1)6381-77-73.43PharmaGSID_48510460081-99-63.43Triphenyl phosphite101-02-03.41Trichloroacetic acid76-03-93.39Sodium L-ascorbate134-03-23.37Cymoxanil57966-95-73.334-Chloroaniline106-47-83.33CI-1044NOCAS_472913.31CP-544439230954-09-33.29Flufenacet142459-58-33.132,2',4,4'-Tetrahydroxybenzophenone131-55-53.09N-Ethylaniline103-69-53.08Resorcinol108-46-32.846-Methyl-2-thiouracil56-04-22.78Quercetin117-39-52.744-Pentylaniline33228-44-32.72Clove leaf oil8000-34-82.712-Naphthylamine91-59-82.49Methyl 2-aminobenzoate134-20-32.37Catechol120-80-92.34Cyanamide420-04-22.34Propyl gallate121-79-92.242-tert-Butyl-4-methoxyphenol121-00-62.24Malathion121-75-51.93Chlorpyrifos-methyl5598-13-01.882,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane2971-36-01.86Methyldopa sesquihydrate41372-08-11.834,4',4"-Ethane-1,1,1-triyltriphenol27955-94-81.74Ethion563-12-21.72Hydroquinone123-31-91.66Tiratricol51-24-11.60CP-634384290352-28-21.60Phenolphthalein77-09-81.56Azinphos-methyl86-50-01.51Oxytetracycline dihydrate6153-64-61.515-Amino-2-methylphenol2835-95-21.43Rifampicin13292-46-11.37Dazomet533-74-41.32Ethoxyquin91-53-21.31SAR150640NOCAS_473891.30Bisphenol B77-40-71.29tert-Butylhydroquinone1948-33-01.27Diazinon333-41-51.274,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]41481-66-71.26Chlorethoxyfos54593-83-81.22Octyl gallate1034-01-11.18Troglitazone97322-87-71.16N-Phenyl-1,4-benzenediamine101-54-21.152,4-Dimethylphenol105-67-91.12Methylene bis(thiocyanate)6317-18-61.08Dimethoate60-51-51.062,5-Di-tert-butylbenzene-1,4-diol88-58-41.04Anilazine101-05-31.03PharmaGSID_48505NOCAS_485051.02Pirimiphos-methyl29232-93-71.02PD-0333941501027-49-21.022-(Thiocyanomethylthio)benzothiazole21564-17-00.99Anthralin1143-38-00.9417alpha-Ethinylestradiol57-63-60.93CP-456773210826-40-70.90Phosalone2310-17-00.88Rotenone83-79-40.873,5,3'-Triiodothyronine6893-02-30.832,6-Di-tert-butylphenol128-39-20.794-Cumylphenol599-64-40.79Toluene-2,4-diisocyanate584-84-90.78Famoxadone131807-57-30.78Phenolphthalin81-90-30.762,4,6-Tris(tert-butyl)phenol732-26-30.732,4-Diaminotoluene95-80-70.736-Thioguanine154-42-70.68Diethylstilbestrol56-53-10.674-Octylphenol1806-26-40.66Phosmet732-11-60.64Reserpine50-55-50.634,4'-Methylenebis(N,N-dimethylaniline)101-61-10.634-(Butan-2-yl)phenol99-71-80.621,2-Phenylenediamine95-54-50.62Profenofos41198-08-70.61Carminic acid1260-17-90.60all-trans-Retinoic acid302-79-40.583-Hydroxyfluorene6344-67-80.572,3-Diaminotoluene2687-25-40.57Darbufelone mesylate139340-56-00.574-tert-Butylphenol98-54-40.55Chlorpyrifos oxon5598-15-20.541-Hydroxypyrene5315-79-70.54Mifepristone84371-65-30.542-tert-Butyl-4-ethylphenol96-70-80.474-(2-Methylbutan-2-yl)phenol80-46-60.47Genistein446-72-00.44Phorate298-02-20.39Coumaphos56-72-40.394-Heptylphenol1987-50-40.36Sodium (2-pyridylthio)-N-oxide3811-73-20.31Sodium dodecyl sulfate151-21-30.31CJ-013790179465-71-50.303,3',5,5'-Tetrabromobisphenol A79-94-70.27Resmethrin10453-86-80.27Phenothiazine92-84-20.264-Nonylphenol104-40-50.25Daidzein486-66-80.24Simvastatin79902-63-90.23Chlorpyrifos2921-88-20.20Norethindrone68-22-40.16Sorbic acid110-44-10.14Fenoxaprop-ethyl66441-23-40.10SB202235139149-55-60.092-Chloroacetophenone532-27-40.054-Aminoazobenzene60-09-30.05Bensulide741-58-20.04HMR1426262376-75-00.041,5-Naphthalenediamine2243-62-10.02MK-578313994-79-50.02Ethylene thiourea96-45-70.012,2-Dibromo-3-nitrilopropionamide10222-01-20.00Phenol108-95-20.001,3-Propane sultone1120-71-40.00Maleic hydrazide123-33-10.00Myrcene123-35-30.00Alachlor ESA, sodium salt140939-15-70.00Clopyralid1702-17-60.00Procymidone32809-16-80.004-Chlorobenzotrichloride5216-25-10.004-Androstene-3,17-dione63-05-80.00N-Methyl-2-pyrrolidone872-50-40.002-Chlorophenol95-57-80.00Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)NOCAS_347420.00Michler's ketone90-94-80.002-Amino-5-azotoluene97-56-3-0.01Prallethrin23031-36-9-0.01Bisphenol A80-05-7-0.03Tebupirimfos96182-53-5-0.04CI-1029207736-05-8-0.05Safrole94-59-7-0.06PFDA335-76-2-0.098-Hydroxyquinoline148-24-3-0.09SSR150106NOCAS_47362-0.112,4-Di-tert-butylphenol96-76-4-0.12PharmaGSID_47263349495-42-7-0.134-Nonylphenol, branched84852-15-3-0.13Cinmethylin87818-31-3-0.13Piperonyl butoxide51-03-6-0.152-tert-Butyl-5-methylphenol88-60-8-0.169-Phenanthrol484-17-3-0.17Forchlorfenuron68157-60-8-0.194-(1,1,3,3-Tetramethylbutyl)phenol140-66-9-0.19Sodium dodecylbenzenesulfonate25155-30-0-0.20Allethrin584-79-2-0.21Dodecylbenzene sulfonate triethanolamine(1:1)27323-41-7-0.22Farglitazar196808-45-4-0.24S-Bioallethrin28434-00-6-0.24PharmaGSID_473371061517-62-1-0.28Clorophene120-32-1-0.29Sodium myristyl sulfate1191-50-0-0.294-Chloro-1,2-diaminobenzene95-83-0-0.32Z-Tetrachlorvinphos22248-79-9-0.33Bisphenol AF1478-61-1-0.34Fabesetron hydrochloride129299-90-7-0.35Dodecylbenzenesulfonic acid27176-87-0-0.36SAR115740NOCAS_47366-0.37Mancozeb8018-01-7-0.38Tannic acid1401-55-4-0.43Retinol68-26-8-0.46Bifenazate149877-41-8-0.49Geranyl acetate105-87-3-0.491-Dodecyl-2-pyrrolidinone2687-96-9-0.54Thiram137-26-8-0.56Carbendazim10605-21-7-0.57PharmaGSID_485111062243-51-9-0.5917beta-Trenbolone10161-33-8-0.61meso-Hexestrol84-16-2-0.61Ziram137-30-4-0.622,4-Bis(1-methyl-1-phenylethyl)phenol2772-45-4-0.63Folpet133-07-3-0.63Benz(a)anthracene56-55-3-0.66SR271425155990-20-8-0.67Triclocarban101-20-2-0.69FD&C Blue No. 13844-45-9-0.71Terbufos13071-79-9-0.73AVE5638725228-45-5-0.742,4-Bis(2-methylbutan-2-yl)phenol120-95-6-0.783,4-Diaminotoluene496-72-0-0.81Tamoxifen citrate54965-24-1-0.84Docusate sodium577-11-7-0.86UK-337312203942-49-8-0.87Sodium dimethyldithiocarbamate128-04-1-0.87CP-105696158081-99-3-0.93PFNA375-95-1-0.99Azathioprine446-86-6-0.99Allura Red C.I.1603525956-17-6-1.01Triclosan3380-34-5-1.01Ro 23-7637107071-66-9-1.05C.I. Solvent Yellow 14842-07-9-1.08Testosterone propionate57-85-2-1.12Oxytetracycline hydrochloride2058-46-0-1.191,2-Benzenedicarboxaldehyde643-79-8-1.20Didecyldimethylammonium chloride7173-51-5-1.33Gentian Violet548-62-9-1.37Niclosamide50-65-7-1.40AVE6324NOCAS_47377-1.48FR150011149413-74-1-1.48Ketoconazole65277-42-1-1.64Elzasonan361343-19-3-1.754-Aminofolic acid54-62-6-1.76Asulam3337-71-1-2.15Methotrexate59-05-2-2.75Fenhexamid126833-17-8-3.15Citronellol106-22-9-3.34Phenobarbital sodium57-30-7-3.422-tert-Butylphenol88-18-6-3.51Biphenyl92-52-4-3.54Difenoconazole119446-68-3-3.584-Cyclohexylcyclohexanone92-68-2-3.58TNP-470129298-91-5-3.69PharmaGSID_48509NOCAS_48509-3.73Triflumizole68694-11-1-3.907,12-Dimethylbenz(a)anthracene57-97-6-3.95Sodium hexyldecyl sulfate1120-01-0-3.96Oryzalin19044-88-3-3.98Benomyl17804-35-2-4.061,2-Diphenylhydrazine122-66-7-4.08Propiconazole60207-90-1-4.10Tamoxifen10540-29-1-4.27Butyl benzyl phthalate85-68-7-4.30UK-373911291305-06-1-4.31Raloxifene hydrochloride82640-04-8-4.48Napropamide15299-99-7-4.72Mercuric chloride7487-94-7-5.39 ................
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