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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 NICEATM ED excel file 
CASEINECSJRC CODEChemical NameSMILES
10161-33-8600-229-1JRC-000230Trenbolone[H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
117-81-7204-211-0JRC-000177Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
120-47-8204-399-4JRC-000193EthylparabenCCOC(=O)c1ccc(O)cc1
330-55-2206-356-5JRC-000206LinuronCON(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1
434-22-0207-101-0JRC-000212Nandrolone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
480-40-0207-549-7JRC-000181 Chrysin (6ci)Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
50-22-6200-019-6JRC-000183Corticosterone[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
520-36-5208-292-3JRC-000173 ApigeninOc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
53-70-3200-181-8JRC-000188Dibenz[A,H]Anthracenec1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
56-53-1200-278-5JRC-000191DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
57-83-0200-350-6JRC-000220Progesterone[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
57-91-0200-354-8JRC-000169 α-Estradiol C1[C@H]2[C@@H]3[C@@H](c4c(cc(O)cc4)CC3)CC[C@@]2([C@@H](O)C1)C
446-72-0207-174-9JRC-000201 GenisterinOc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
50-76-0200-063-6JRC-000170Dactinomycin[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
52-01-7200-133-6JRC-000225Spironolactone[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
63612-50-0-JRC-000213NilutamideN1(c2cc(c([N+](=O)[O-])cc2)C(F)(F)F)C(C(C)(C)NC1=O)=O
80-05-7201-245-8JRC-000178Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
84-16-2201-518-1JRC-000202 HexestrolCC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
84-74-2201-557-4JRC-000189Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
84371-65-3617-559-7JRC-000210Mifepristone[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]
13311-84-7236-341-9JRC-000199FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
486-66-8207-635-4JRC-000186 Daidzein (6ci)Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
52806-53-8-JRC-000203Hydroxyflutamidec1c(C(F)(F)F)c([N+](=O)[O-])ccc1NC(=O)C(O)(C)C
53-16-7200-164-5JRC-000192Estrone[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
566-48-3-JRC-000200FormestaneC1[C@H]2[C@H]([C@H]3[C@@](C(=O)CC3)(C)C1)CCC=1[C@@]2(CCC(C1O)=O)C
58-00-4200-360-0JRC-000104Apomorphinec12c3c4c(ccc(c4O)O)C[C@H]1[N@@](CCc2ccc3)C
58-18-4200-366-3JRC-000209Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
65277-42-1265-667-4JRC-000205KetoconazoleCC(=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
72-43-5200-779-9JRC-000208MethoxychlorCOc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
76-43-7200-961-8JRC-000198Fluoxymesterone[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
77-40-7201-025-1JRC-000233 Bisphenol BCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2
93-76-5202-273-3JRC-0002312,4,5-Tc1(c(cc(Cl)c(c1)Cl)Cl)OCC(O)=O
115-32-2204-082-0JRC-000190DicofolOC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
479-13-0207-525-6JRC-000184 CoumestrolOC1=CC=C2C(OC3=C2C(=O)OC2=CC(O)=CC=C32)=C1
50-06-6200-007-0JRC-000015PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
501-36-0610-504-8JRC-000223ResveratrolOC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
50471-44-8256-599-6JRC-000232VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
525-82-6208-383-8JRC-000196FlavoneO=C1C=C(Oc2ccccc12)c3ccccc3
654055-01-3-JRC-000211Morin HydrateOC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O.[H]O[H]
66-81-9200-636-0JRC-000008Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
72-55-9200-784-6JRC-0002154,4'-DDEClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl
789-02-6212-332-5JRC-000214o,p'-DDTClc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl
81-90-3201-384-4JRC-000216 Phenolphthalin (6ci)OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3
82640-04-8-JRC-000221Raloxifene Hydrochloridec1(c(c2ccc(O)cc2)sc2c1ccc(c2)O)C(c1ccc(OCCN2CCCCC2)cc1)=O.Cl
98319-26-7-JRC-000195FinasterideC1[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
10540-29-1234-118-0JRC-000227TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
206-44-0205-912-4JRC-000197FluorantheneC1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3
2062-78-4218-171-7JRC-000218PimozideFC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=C1C=CC=C2)C1=CC=C(F)C=C1
427-51-0207-048-3JRC-000185Cyproterone 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
50-28-2200-023-8JRC-000226Estradiol[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)O)C
51-48-9200-101-1JRC-000229Dl-ThyroxinN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
521-18-6208-307-3JRC-000172Androstanolone[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
60168-88-9262-095-7JRC-000194FenarimolOC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=C(Cl)C=CC=C1
68-23-5200-682-1JRC-000234Noretynodrel[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-JRC-000165Trans-4-Hydroxytamoxifenc1c(O)ccc(\C(c2ccc(cc2)OCCN(C)C)=C(\c2ccccc2)CC)c1
89-72-5201-933-8JRC-0001622-Sec-ButylphenolCCC(C)c1ccccc1O
104-40-5203-199-4JRC-000166Phenol, 4-Nonyl-CCCCCCCCCc1ccc(O)cc1
140-66-9205-426-2JRC-0001674-Tert-OctylphenolCC(C)(C)CC(C)(C)c1ccc(O)cc1
16561-29-8605-413-5JRC-000217Phorbol 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
1912-24-9217-617-8JRC-000175AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
32809-16-8251-233-1JRC-000219ProcymidoneCC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1
51-52-5200-103-2JRC-000168PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
520-18-3208-287-6JRC-0002043,4',5,7-TetrahydroxyflavoneOC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
58-22-0200-370-5JRC-000228Testosterone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
599-64-4209-968-0JRC-000164 4-CumylphenolCC(C)(c1ccccc1)c2ccc(O)cc2
71-58-9200-757-9JRC-000207Medroxyprogesterone 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
85-68-7201-622-7JRC-000179Benzyl Butyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1
50-02-2200-003-9JRC-000187Dexamethasone[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
50-41-9200-035-3JRC-000182Clomifen Dihydrogen CitrateCCN(CC)CCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3
52-86-8200-155-6JRC-000084HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
57-63-6200-342-2JRC-000049Ethinylestradiol[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
63-05-8200-554-5JRC-000163Androst-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
90357-06-5618-534-3JRC-000176BicalutamideCC(O)(C[S](=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
143-50-0205-601-3JRC-000180ChlordeconeClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
26628-22-8247-852-1JRC-000224Sodium Azide (Na(N3))[N-]=[N+]=[N-].[Na+]
50-55-5200-047-9JRC-000222Reserpinec12[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
604-75-1210-076-9JRC-000103OxazepamOC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O
7790-98-9232-235-1JRC-000171Ammonium PerchlorateCl(=O)(=O)(=O)[O-].[NH4+]

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