Chiu et al.: Use of high-throughput in vitro toxicity screening data in cancer hazard evaluations by IARC Monograph Working Groups
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- Joel Park
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1 Chiu et al.: Use of high-throughput in vitro toxicity screening data in cancer hazard evaluations by IARC Monograph Working Groups Supplementary Data 1 Tab. S1: Assay endpoints, with their corresponding categories assignments and abbreviations, used in Case Study 1, and shown in Fig. 2 and Fig S1. SOURCE_NAME_AID Category Abbreviation (from December 2013 Data release) Estrogen receptor ERa ATG_ERa_TRANS Estrogen receptor ERE ATG_ERE_CIS Estrogen receptor ERaERb OT_ER_ERaERb_0480 Estrogen receptor ERa LUC Tox21_ERa_LUC_BG1_Antagonist_viability Estrogen receptor ERa BLA Tox21_ERa_BLA_Antagonist_ratio PPARs PPARa ATG_PPARa_TRANS PPARs PPARg ATG_PPARg_TRANS PPARs PPRE ATG_PPRE_CIS PPARs hrrag NVS_NR_hPPARg PXR PXR ATG_PXR_TRANS PXR PXRE ATG_PXRE_CIS PXR hpxr NVS_NR_hPXR AR rar NVS_NR_rAR AR AR BLA Tox21_AR_BLA_Antagonist_ratio AR AR LUC_MDAKB2 Tox21_AR_LUC_MDAKB2_Antagonist_viability Aromatase Arom. Inh Tox21_Aromatase_Inhibition Aromatase Arom. Inh Via. Tox21_Aromatase_Inhibition_viability Enzymes hbace NVS_ENZ_hBACE Enzymes hmmp2 NVS_ENZ_hMMP2 Enzymes htie2 NVS_ENZ_hTie2 Enzymes ocox1 NVS_ENZ_oCOX1 Enzymes ocox2 NVS_ENZ_oCOX2 Enzymes gltb4 NVS_GPCR_gLTB4 Enzymes horl1 NVS_GPCR_hORL1 Enzymes hpy2 NVS_GPCR_hPY2 Enzymes hpbr NVS_MP_hPBR Enzymes rpbr NVS_MP_rPBR Other NRF2 ATG_NRF2_ARE_CIS Other RXRb ATG_RXRb_TRANS Other VDRE ATG_VDRE_CIS Other hcyp2c19 NVS_ADME_hCYP2C19 Other hcyp2c9 NVS_ADME_hCYP2C9 Other AhR Tox21_AhR_viability Other ELG1 LUC Tox21_ELG1_LUC_Agonist_viability Other Mitoch. Tox21_MitochondrialToxicity_ratio Other TR LUC Tox21_TR_LUC_GH3_Agonist Other TR LUC Via. Tox21_TR_LUC_GH3_Antagonist_viability 1 doi: /altex s
2 Tab. S2: Mappings of all in vitro assay endpoints to ToxPi slices used in Case Studies 2 and 3. Key Characteristic Sub-category assay_component_endpoint_name (from Oct 2015 data release) Notes #1 Is Electrophilic or Can Be Metabolically Activated aromatase_inhibition NVS_ADME_hCYP19A1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP1A1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP1A2 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP1B1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2A6 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2B6 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2C18 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2C19 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2C8 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2C9 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2D6 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2E1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP2J2 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP3A4 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP3A5 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_hCYP4F12 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP1A1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP1A2 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2A1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2A2 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2B1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2C11 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2C12 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2C13 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2C6 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2D1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2D2 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP2E1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP3A1 #1 Is Electrophilic or Can Be Metabolically Activated cyp_inhibition NVS_ADME_rCYP3A2 #1 Is Electrophilic or Can Be Metabolically Activated aromatase_inhibition TOX21_Aromatase_Inhibition #2 Is Genotoxic p53_activation APR_HepG2_p53Act_1h_up Not used in IARC Vol 113 #2 Is Genotoxic p53_activation APR_HepG2_p53Act_24h_up Not used in IARC Vol 113 #2 Is Genotoxic p53_activation APR_HepG2_p53Act_72h_up Not used in IARC Vol 113 #2 Is Genotoxic p53_activation ATG_p53_CIS_up Not used in IARC Vol 113 #2 Is Genotoxic p53_activation TOX21_p53_BLA_p1_ratio Not used in IARC Vol 113 #2 Is Genotoxic p53_activation TOX21_p53_BLA_p2_ratio Not used in IARC Vol 113
3 #2 Is Genotoxic p53_activation TOX21_p53_BLA_p3_ratio Not used in IARC Vol 113 #2 Is Genotoxic p53_activation TOX21_p53_BLA_p4_ratio Not used in IARC Vol 113 #2 Is Genotoxic p53_activation TOX21_p53_BLA_p5_ratio Not used in IARC Vol 113 #4 Induces Epigenetic Alterations dna_binding ATG_FoxA2_CIS_up #4 Induces Epigenetic Alterations dna_binding ATG_Pax6_CIS_up #4 Induces Epigenetic Alterations dna_binding ATG_Sox_CIS_up #4 Induces Epigenetic Alterations dna_binding ATG_Sp1_CIS_up #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_hHDAC3 #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_hHDAC6 #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_hSIRT1 #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_hSIRT2 #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_hSIRT3 #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_pMTHFR #4 Induces Epigenetic Alterations transformation_catalyst NVS_ENZ_rCOMT #5 Induces Oxidative Stress oxidative_stress APR_HepG2_OxidativeStress_1h_up #5 Induces Oxidative Stress oxidative_stress APR_HepG2_OxidativeStress_24h_up #5 Induces Oxidative Stress oxidative_stress APR_HepG2_OxidativeStress_72h_up #5 Induces Oxidative Stress oxidative_stress APR_HepG2_StressKinase_1h_up #5 Induces Oxidative Stress oxidative_stress APR_HepG2_StressKinase_24h_up #5 Induces Oxidative Stress oxidative_stress APR_HepG2_StressKinase_72h_up #5 Induces Oxidative Stress oxidative_stress_marker ATG_HIF1a_CIS_up #5 Induces Oxidative Stress oxidative_stress_marker ATG_MRE_CIS_up #5 Induces Oxidative Stress oxidative_stress_marker ATG_NRF1_CIS_up #5 Induces Oxidative Stress oxidative_stress_marker ATG_NRF2_ARE_CIS_up #5 Induces Oxidative Stress metalloproteinase BSK_BE3C_MMP1_up #5 Induces Oxidative Stress metalloproteinase BSK_hDFCGF_MMP1_up #5 Induces Oxidative Stress metalloproteinase BSK_hDFCGF_TIMP1_up #5 Induces Oxidative Stress metalloproteinase BSK_KF3CT_MMP9_up #5 Induces Oxidative Stress metalloproteinase BSK_KF3CT_TIMP2_up #5 Induces Oxidative Stress oxidative_stress_marker TOX21_ARE_BLA_agonist_ratio #5 Induces Oxidative Stress oxidative_stress TOX21_ESRE_BLA_ratio #5 Induces Oxidative Stress oxidative_stress_marker TOX21_HSE_BLA_agonist_ratio #6 Induces chronic inflammation nfkb ATG_NF_kB_CIS_up #6 Induces chronic inflammation cell adhesion molecules BSK_3C_Eselectin_up #6 Induces chronic inflammation cell adhesion molecules BSK_3C_HLADR_up #6 Induces chronic inflammation cell adhesion molecules BSK_3C_ICAM1_up #6 Induces chronic inflammation cytokine BSK_3C_IL8_up #6 Induces chronic inflammation cytokine BSK_3C_MCP1_up #6 Induces chronic inflammation cytokine BSK_3C_MIG_up #6 Induces chronic inflammation cell adhesion molecules BSK_3C_VCAM1_up #6 Induces chronic inflammation cytokine BSK_4H_Eotaxin3_up
4 #6 Induces chronic inflammation cytokine BSK_4H_MCP1_up #6 Induces chronic inflammation cell adhesion molecules BSK_4H_Pselectin_up #6 Induces chronic inflammation cell adhesion molecules BSK_4H_VCAM1_up #6 Induces chronic inflammation cell adhesion molecules BSK_BE3C_HLADR_up #6 Induces chronic inflammation cytokine BSK_BE3C_IL1a_up #6 Induces chronic inflammation cytokine BSK_BE3C_IP10_up #6 Induces chronic inflammation cytokine BSK_BE3C_MIG_up #6 Induces chronic inflammation cell adhesion molecules BSK_CASM3C_HLADR_up #6 Induces chronic inflammation cytokine BSK_CASM3C_IL6_up #6 Induces chronic inflammation cytokine BSK_CASM3C_IL8_up #6 Induces chronic inflammation cytokine BSK_CASM3C_MCP1_up #6 Induces chronic inflammation cytokine BSK_CASM3C_MIG_up #6 Induces chronic inflammation cell adhesion molecules BSK_CASM3C_VCAM1_up #6 Induces chronic inflammation cytokine BSK_hDFCGF_IL8_up #6 Induces chronic inflammation cytokine BSK_hDFCGF_IP10_up #6 Induces chronic inflammation cytokine BSK_hDFCGF_MIG_up #6 Induces chronic inflammation cell adhesion molecules BSK_hDFCGF_VCAM1_up #6 Induces chronic inflammation cell adhesion molecules BSK_KF3CT_ICAM1_up #6 Induces chronic inflammation cytokine BSK_KF3CT_IL1a_up #6 Induces chronic inflammation cytokine BSK_KF3CT_IP10_up #6 Induces chronic inflammation cytokine BSK_KF3CT_MCP1_up #6 Induces chronic inflammation cytokine BSK_LPS_CD40_up #6 Induces chronic inflammation cell adhesion molecules BSK_LPS_Eselectin_up #6 Induces chronic inflammation cytokine BSK_LPS_IL1a_up #6 Induces chronic inflammation cytokine BSK_LPS_IL8_up #6 Induces chronic inflammation cytokine BSK_LPS_MCP1_up #6 Induces chronic inflammation cytokine BSK_LPS_TNFa_up #6 Induces chronic inflammation cell adhesion molecules BSK_LPS_VCAM1_up #6 Induces chronic inflammation cytokine BSK_SAg_CD38_up #6 Induces chronic inflammation cytokine BSK_SAg_CD40_up #6 Induces chronic inflammation cytokine BSK_SAg_CD69_up #6 Induces chronic inflammation cell adhesion molecules BSK_SAg_Eselectin_up #6 Induces chronic inflammation cytokine BSK_SAg_IL8_up #6 Induces chronic inflammation cytokine BSK_SAg_MCP1_up #6 Induces chronic inflammation cytokine BSK_SAg_MIG_up #6 Induces chronic inflammation nfkb TOX21_NFkB_BLA_agonist_ratio #8 Modulates receptor-mediated effects ER ACEA_T47D_80hr_Positive #8 Modulates receptor-mediated effects AHR ATG_Ahr_CIS_up #8 Modulates receptor-mediated effects AR ATG_AR_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_CAR_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_DR4_LXR_CIS_up
5 #8 Modulates receptor-mediated effects RAR ATG_DR5_CIS_up #8 Modulates receptor-mediated effects ER ATG_ERa_TRANS_up #8 Modulates receptor-mediated effects ER ATG_ERE_CIS_up #8 Modulates receptor-mediated effects other_nr ATG_ERRa_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_ERRg_TRANS_up #8 Modulates receptor-mediated effects FXR ATG_FXR_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_GR_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_GRE_CIS_up #8 Modulates receptor-mediated effects other_nr ATG_HNF4a_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_LXRa_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_LXRb_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_NURR1_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_PBREM_CIS_up #8 Modulates receptor-mediated effects PPAR ATG_PPARa_TRANS_up #8 Modulates receptor-mediated effects PPAR ATG_PPARd_TRANS_up #8 Modulates receptor-mediated effects PPAR ATG_PPARg_TRANS_up #8 Modulates receptor-mediated effects PPAR ATG_PPRE_CIS_up #8 Modulates receptor-mediated effects PXR_VDR ATG_PXR_TRANS_up #8 Modulates receptor-mediated effects PXR_VDR ATG_PXRE_CIS_up #8 Modulates receptor-mediated effects RAR ATG_RARa_TRANS_up #8 Modulates receptor-mediated effects RAR ATG_RARb_TRANS_up #8 Modulates receptor-mediated effects RAR ATG_RARg_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_RORb_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_RORE_CIS_up #8 Modulates receptor-mediated effects other_nr ATG_RORg_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_RXRa_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_RXRb_TRANS_up #8 Modulates receptor-mediated effects other_nr ATG_THRa1_TRANS_up #8 Modulates receptor-mediated effects PXR_VDR ATG_VDR_TRANS_up #8 Modulates receptor-mediated effects PXR_VDR ATG_VDRE_CIS_up #8 Modulates receptor-mediated effects ER NVS_NR_bER #8 Modulates receptor-mediated effects other_nr NVS_NR_bPR #8 Modulates receptor-mediated effects AR NVS_NR_cAR #8 Modulates receptor-mediated effects AR NVS_NR_hAR #8 Modulates receptor-mediated effects other_nr NVS_NR_hCAR_Agonist #8 Modulates receptor-mediated effects other_nr NVS_NR_hCAR_Antagonist #8 Modulates receptor-mediated effects ER NVS_NR_hER #8 Modulates receptor-mediated effects FXR NVS_NR_hFXR_Agonist #8 Modulates receptor-mediated effects FXR NVS_NR_hFXR_Antagonist #8 Modulates receptor-mediated effects other_nr NVS_NR_hGR #8 Modulates receptor-mediated effects PPAR NVS_NR_hPPARa
6 #8 Modulates receptor-mediated effects PPAR NVS_NR_hPPARg #8 Modulates receptor-mediated effects other_nr NVS_NR_hPR #8 Modulates receptor-mediated effects PXR_VDR NVS_NR_hPXR #8 Modulates receptor-mediated effects RAR NVS_NR_hRAR_Antagonist #8 Modulates receptor-mediated effects RAR NVS_NR_hRARa_Agonist #8 Modulates receptor-mediated effects other_nr NVS_NR_hTRa_Antagonist #8 Modulates receptor-mediated effects ER NVS_NR_mERa #8 Modulates receptor-mediated effects AR NVS_NR_rAR #8 Modulates receptor-mediated effects other_nr NVS_NR_rMR #8 Modulates receptor-mediated effects AR OT_AR_ARELUC_AG_1440 #8 Modulates receptor-mediated effects AR OT_AR_ARSRC1_0480 #8 Modulates receptor-mediated effects AR OT_AR_ARSRC1_0960 #8 Modulates receptor-mediated effects ER OT_ER_ERaERa_0480 #8 Modulates receptor-mediated effects ER OT_ER_ERaERa_1440 #8 Modulates receptor-mediated effects ER OT_ER_ERaERb_0480 #8 Modulates receptor-mediated effects ER OT_ER_ERaERb_1440 #8 Modulates receptor-mediated effects ER OT_ER_ERbERb_0480 #8 Modulates receptor-mediated effects ER OT_ER_ERbERb_1440 #8 Modulates receptor-mediated effects ER OT_ERa_EREGFP_0120 #8 Modulates receptor-mediated effects ER OT_ERa_EREGFP_0480 #8 Modulates receptor-mediated effects FXR OT_FXR_FXRSRC1_0480 #8 Modulates receptor-mediated effects FXR OT_FXR_FXRSRC1_1440 #8 Modulates receptor-mediated effects other_nr OT_NURR1_NURR1RXRa_0480 #8 Modulates receptor-mediated effects other_nr OT_NURR1_NURR1RXRa_1440 #8 Modulates receptor-mediated effects PPAR OT_PPARg_PPARgSRC1_0480 #8 Modulates receptor-mediated effects PPAR OT_PPARg_PPARgSRC1_1440 #8 Modulates receptor-mediated effects AHR TOX21_AhR_LUC_Agonist #8 Modulates receptor-mediated effects AR TOX21_AR_BLA_Agonist_ratio #8 Modulates receptor-mediated effects AR TOX21_AR_BLA_Antagonist_ratio #8 Modulates receptor-mediated effects AR TOX21_AR_LUC_MDAKB2_Agonist #8 Modulates receptor-mediated effects AR TOX21_AR_LUC_MDAKB2_Antagonist #8 Modulates receptor-mediated effects ER TOX21_ERa_BLA_Agonist_ratio #8 Modulates receptor-mediated effects ER TOX21_ERa_BLA_Antagonist_ratio #8 Modulates receptor-mediated effects ER TOX21_ERa_LUC_BG1_Agonist #8 Modulates receptor-mediated effects ER TOX21_ERa_LUC_BG1_Antagonist #8 Modulates receptor-mediated effects FXR TOX21_FXR_BLA_agonist_ratio #8 Modulates receptor-mediated effects FXR TOX21_FXR_BLA_antagonist_ratio #8 Modulates receptor-mediated effects other_nr TOX21_GR_BLA_Agonist_ratio #8 Modulates receptor-mediated effects other_nr TOX21_GR_BLA_Antagonist_ratio #8 Modulates receptor-mediated effects PPAR TOX21_PPARd_BLA_agonist_ratio #8 Modulates receptor-mediated effects PPAR TOX21_PPARd_BLA_antagonist_ratio
7 #8 Modulates receptor-mediated effects PPAR TOX21_PPARg_BLA_Agonist_ratio #8 Modulates receptor-mediated effects PPAR TOX21_PPARg_BLA_antagonist_ratio #8 Modulates receptor-mediated effects other_nr TOX21_TR_LUC_GH3_Agonist #8 Modulates receptor-mediated effects PXR_VDR TOX21_VDR_BLA_agonist_ratio #8 Modulates receptor-mediated effects PXR_VDR TOX21_VDR_BLA_antagonist_ratio #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity ACEA_T47D_80hr_Negative #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity APR_HepG2_CellCycleArrest_1h_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity APR_HepG2_CellCycleArrest_24h_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity APR_HepG2_CellCycleArrest_72h_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity APR_HepG2_CellLoss_1h_dn #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity APR_HepG2_CellLoss_24h_dn #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity APR_HepG2_CellLoss_72h_dn #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity APR_HepG2_MitoMass_1h_up #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity APR_HepG2_MitoMass_24h_up #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity APR_HepG2_MitoMass_72h_up #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity APR_HepG2_MitoMembPot_1h_up #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity APR_HepG2_MitoMembPot_24h_up #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity APR_HepG2_MitoMembPot_72h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker APR_HepG2_MitoticArrest_1h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker APR_HepG2_MitoticArrest_24h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker APR_HepG2_MitoticArrest_72h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker APR_HepG2_NuclearSize_1h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker APR_HepG2_NuclearSize_24h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker APR_HepG2_NuclearSize_72h_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker ATG_Myb_CIS_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker ATG_Myc_CIS_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker ATG_TGFb_CIS_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker ATG_Xbp1_CIS_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity ATG_XTT_Cytotoxicity_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_3C_Proliferation_down #10 Alters cell proliferation, cell death or nutrient supply proliferation BSK_3C_Proliferation_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_3C_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_4H_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker BSK_4H_VEGFRII_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_BE3C_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker BSK_CASM3C_MCSF_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_CASM3C_Proliferation_down #10 Alters cell proliferation, cell death or nutrient supply proliferation BSK_CASM3C_Proliferation_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_CASM3C_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker BSK_hDFCGF_EGFR_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker BSK_hDFCGF_MCSF_up
8 #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_hDFCGF_Proliferation_down #10 Alters cell proliferation, cell death or nutrient supply proliferation BSK_hDFCGF_Proliferation_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_hDFCGF_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_KF3CT_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker BSK_KF3CT_TGFb1_up #10 Alters cell proliferation, cell death or nutrient supply cell_cycle_marker BSK_LPS_MCSF_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_LPS_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_SAg_PBMCCytotoxicity_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_SAg_Proliferation_down #10 Alters cell proliferation, cell death or nutrient supply proliferation BSK_SAg_Proliferation_up #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity BSK_SAg_SRB_down #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_AR_BLA_Antagonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_ARE_BLA_agonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_ERa_BLA_Antagonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_ESRE_BLA_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_FXR_BLA_agonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_FXR_BLA_antagonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_GR_BLA_Antagonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_HSE_BLA_agonist_viability #10 Alters cell proliferation, cell death or nutrient supply mitochondrial_toxicity TOX21_MMP_ratio_down #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_MMP_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_NFkB_BLA_agonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_p53_BLA_p1_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_p53_BLA_p2_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_p53_BLA_p3_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_p53_BLA_p4_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_p53_BLA_p5_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_PPARd_BLA_Agonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_PPARd_BLA_antagonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_PPARg_BLA_antagonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_VDR_BLA_Agonist_viability #10 Alters cell proliferation, cell death or nutrient supply cytotoxicity TOX21_VDR_BLA_antagonist_viability
9 Tab. S3: ToxCast AC 50s (in µm) for nuclear-receptor-related assays for the compounds compared in Fig S1. A value of 1000 indicates the compound was inactive in that assay. Gro up Assay PFOA PFOA, ammonium salt PFOS MEHP Bezafibrate Clofibrate Dexamethasone sodium phosphate Fenofibrate Gemfibrozil Di(2- ethylhexyl) phthalate Phenobarbital sodium 1 ATG_ERa_TRANS_dn ATG_ERa_TRANS_up 47,21 44,70 38, ,23 18, ATG_ERE_CIS_dn ATG_ERE_CIS_up 33,82 22,71 18, ,42 86, , OT_ER_ERaERb_ , , TOX21_ERa_BLA_Antagonist 47,43 43,01 83, , , _ratio 2 ATG_PPARa_TRANS_dn ATG_PPARa_TRANS_up 21,83 6,73 58,85 8,30 45, ,34 36, ATG_PPARg_TRANS_dn ATG_PPARg_TRANS_up 49,59 21,81 26,67 23, ,11 64,16 38,60 37, ATG_PPRE_CIS_dn ATG_PPRE_CIS_up 30, ,92 16, ,53 32,35 25, NVS_NR_hPPARg 23,35 26,36 5, , ATG_PXRE_CIS_up 35,28 21,08 9, ,55 20,27 9,14 23,18 102,36 0,71 3 NVS_NR_hPXR , , NVS_NR_rAR ,35 4, TOX21_AR_BLA_Antagonist_r , ,99 atio 4 TOX21_Aromatase_Inhibition , ,49 5 NVS_ENZ_hBACE 3,90 1,25 0, NVS_ENZ_hMMP , NVS_ENZ_hTie2 18, , NVS_ENZ_oCOX , ,01 5 NVS_ENZ_oCOX ,93 8, ,48 5 NVS_GPCR_gLTB4 16,53 21,87 21, NVS_GPCR_hPY , NVS_MP_hPBR ,59 40, NVS_MP_rPBR , ATG_NRF2_ARE_CIS_dn ATG_NRF2_ARE_CIS_up 47,89 57,24 5, , , ,76 6 ATG_RXRb_TRANS_up , , ATG_VDRE_CIS_up , ,19 34, ,81 Rifampicin
10 6 NVS_ADME_hCYP2C , , , ,99 6 NVS_ADME_hCYP2C ,20 0, , , ,99 6 TOX21_AhR_LUC_Agonist ,
11 Fig. S1: Comparison of ToxCast AC 50s (in µm) for nuclear-receptor-related assays between PFOA (including its ammonium salt); selected prototypical compounds DEHP (including its metabolite MEHP), phenobarbital, and rifampicin; as well other PPARα agonists clofibrate, bezafibrate, fenofibrate and gemfibrozil. Longer bar indicates greater potency (lower AC 50). Assays for which all compounds were negative are not displayed.
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