Reaction Details |
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Target | Estrogen receptor |
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Ligand | BDBM20610 |
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Substrate/Competitor | 17beta-estradiol (E2) |
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Meas. Tech. | ER-alpha Radioligand Binding Assay and ERE-Luciferase Reporter Assay. |
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pH | 7.4±n/a |
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Temperature | 295.15±n/a K |
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IC50 | 69±2 nM |
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EC50 | 34.9±3.3 nM |
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Comments | Antagonist activity in MCF-7 assay, IC50= 44 +/- 25 nM, 100% antagonism; in the absence of 17beta-estradiol in the MCF-7 proliferation assay, compound displayed 10 +/- 4 % agonistic effect. |
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Citation | Renaud, J; Bischoff, SF; Buhl, T; Floersheim, P; Fournier, B; Geiser, M; Halleux, C; Kallen, J; Keller, H; Ramage, P Selective estrogen receptor modulators with conformationally restricted side chains. Synthesis and structure-activity relationship of ERalpha-selective tetrahydroisoquinoline ligands. J Med Chem48:364-79 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Estrogen receptor |
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Name: | Estrogen receptor |
Synonyms: | ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1 |
Type: | Protein |
Mol. Mass.: | 66230.44 |
Organism: | Homo sapiens (Human) |
Description: | P03372 |
Residue: | 595 |
Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
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BDBM20610 |
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17beta-estradiol (E2) |
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Name | BDBM20610 |
Synonyms: | 1-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol | Piperazine Derivative, 30 |
Type | Small organic molecule |
Emp. Form. | C27H31N3O |
Mol. Mass. | 413.5545 |
SMILES | CC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1 |
Structure |
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