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NICEATM ED: Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study This list proposes chemicals for validation studies for estrogen and androgen binding and transactivation assays. It has been compiled by NICEATM in 2003 and revised in 2006. 1 (78 chemicals) download  excel file 
CASEINECSChemical NameSMILES
10161-33-8 600-229-1Trenbolone[H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
104-40-5 203-199-4Phenol, 4-Nonyl-CCCCCCCCCc1ccc(O)cc1
10540-29-1 234-118-0TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
115-32-2 204-082-0DicofolOC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
117-81-7 204-211-0Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
120-47-8 204-399-4EthylparabenCCOC(=O)c1ccc(O)cc1
13311-84-7 236-341-9FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
140-66-9 205-426-24-Tert-OctylphenolCC(C)(C)CC(C)(C)c1ccc(O)cc1
143-50-0 205-601-3ChlordeconeClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
16561-29-8 605-413-5Phorbol 12-Myristate 13-Acetate[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](C)[C@]21O
1912-24-9 217-617-8AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
206-44-0 205-912-4FluorantheneC1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3
2062-78-4 218-171-7PimozideFC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=C1C=CC=C2)C1=CC=C(F)C=C1
26628-22-8 247-852-1Sodium Azide (Na(N3))[N-]=[N+]=[N-].[Na+]
32809-16-8 251-233-1ProcymidoneCC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1
330-55-2 206-356-5LinuronCON(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1
427-51-0 207-048-3Cyproterone Acetate[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)[C@@H]3C[C@@H]3[C@]12C
434-22-0 207-101-0Nandrolone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
446-72-0 207-174-9 GenisterinOc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
479-13-0 207-525-6 CoumestrolOC1=CC=C2C(OC3=C2C(=O)OC2=CC(O)=CC=C32)=C1
480-40-0 207-549-7 Chrysin (6ci)Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
486-66-8 207-635-4 Daidzein (6ci)Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
50-02-2 200-003-9Dexamethasone[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
50-06-6 200-007-0PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
50-22-6 200-019-6Corticosterone[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
50-28-2 200-023-8Estradiol[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)O)C
50-41-9 200-035-3Clomifen Dihydrogen CitrateCCN(CC)CCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3
50-55-5 200-047-9Reserpinec12[C@@H]3[N@@](C[C@H]4C[C@@H](OC(c5cc(c(OC)c(c5)OC)OC)=O)[C@@H]([C@H]([C@@H]4C3)C(OC)=O)OC)CCc1c1ccc(cc1[nH]2)OC
50-76-0 200-063-6Dactinomycin[H][C@@]12CCCN1C(=O)C(NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
501-36-0 610-504-8ResveratrolOC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
50471-44-8 256-599-6VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
51-48-9 200-101-1Dl-ThyroxinN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
51-52-5 200-103-2PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
52-01-7 200-133-6Spironolactone[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O
52-86-8 200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
520-18-3 208-287-63,4',5,7-TetrahydroxyflavoneOC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
520-36-5 208-292-3 ApigeninOc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
521-18-6 208-307-3Androstanolone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
525-82-6 208-383-8FlavoneO=C1C=C(Oc2ccccc12)c3ccccc3
52806-53-8 Hydroxyflutamidec1c(C(F)(F)F)c([N+](=O)[O-])ccc1NC(=O)C(O)(C)C
53-16-7 200-164-5Estrone[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
53-70-3 200-181-8Dibenz[A,H]Anthracenec1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
56-53-1 200-278-5DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
566-48-3 FormestaneC1[C@H]2[C@H]([C@H]3[C@@](C(=O)CC3)(C)C1)CCC=1[C@@]2(CCC(C1O)=O)C
57-63-6 200-342-2Ethinylestradiol[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
57-83-0 200-350-6Progesterone[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
57-91-0 200-354-8 α-Estradiol C1[C@H]2[C@@H]3[C@@H](c4c(cc(O)cc4)CC3)CC[C@@]2([C@@H](O)C1)C
58-00-4 200-360-0Apomorphinec12c3c4c(ccc(c4O)O)C[C@H]1[N@@](CCc2ccc3)C
58-18-4 200-366-3Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-22-0 200-370-5Testosterone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
599-64-4 209-968-0 4-CumylphenolCC(C)(c1ccccc1)c2ccc(O)cc2
60168-88-9 262-095-7FenarimolOC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=C(Cl)C=CC=C1
604-75-1 210-076-9OxazepamOC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O
63-05-8 200-554-5Androst-4-Ene-3,17-Dione[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
63612-50-0 NilutamideN1(c2cc(c([N+](=O)[O-])cc2)C(F)(F)F)C(C(C)(C)NC1=O)=O
65277-42-1 265-667-4KetoconazoleCC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
654055-01-3 Morin HydrateOC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O.[H]O[H]
66-81-9 200-636-0Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
68-23-5 200-682-1Noretynodrel[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3
68047-06-3 Trans-4-Hydroxytamoxifenc1c(O)ccc(\C(c2ccc(cc2)OCCN(C)C)=C(\c2ccccc2)CC)c1
71-58-9 200-757-9Medroxyprogesterone Acetate[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
72-43-5 200-779-9MethoxychlorCOc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
72-55-9 200-784-64,4'-DDEClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl
76-43-7 200-961-8Fluoxymesterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
77-40-7 201-025-1 Bisphenol BCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2
7790-98-9 232-235-1Ammonium PerchlorateCl(=O)(=O)(=O)[O-].[NH4+]
789-02-6 212-332-5o,p'-DDTClc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl
80-05-7 201-245-8Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
81-90-3 201-384-4 Phenolphthalin (6ci)OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3
82640-04-8 Raloxifene Hydrochloridec1(c(c2ccc(O)cc2)sc2c1ccc(c2)O)C(c1ccc(OCCN2CCCCC2)cc1)=O.Cl
84-16-2 201-518-1 HexestrolCC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
84-74-2 201-557-4Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
84371-65-3 617-559-7Mifepristone[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
85-68-7 201-622-7Benzyl Butyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1
89-72-5 201-933-82-Sec-ButylphenolCCC(C)c1ccccc1O
90357-06-5 618-534-3BicalutamideCC(O)(C[S](=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
93-76-5 202-273-32,4,5-Tc1(c(cc(Cl)c(c1)Cl)Cl)OCC(O)=O
98319-26-7 FinasterideC1[C@H]2[C@H]3[C@@H]([C@@]4([C@H](NC(=O)C=C4)CC3)C)CC[C@@]2([C@H](C(NC(C)(C)C)=O)C1)C
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