| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor |
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| Ligand | BDBM20618 |
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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 | 169±53 nM |
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| EC50 | 18.2±5.6 nM |
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| Comments | Antagonist activity in MCF-7 assay, IC50= 110 +/- 17 nM, 100% antagonism; in the absence of 17beta-estradiol in the MCF-7 proliferation assay, compound displayed 7.6 +/- 1.6 % 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 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 66230.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03372 |
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| Residue: | 595 |
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| Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
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| BDBM20618 |
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| 17beta-estradiol (E2) |
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| Name | BDBM20618 |
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| Synonyms: | 2-(3-hydroxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol | Piperazine Derivative, 45 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H29N3O2 |
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| Mol. Mass. | 415.5274 |
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| SMILES | CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1 |
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| Structure | 
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