| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor beta |
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| Ligand | BDBM20615 |
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| Substrate/Competitor | 17beta-estradiol (E2) |
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| Meas. Tech. | ER-beta 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 | 239±27 nM |
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| EC50 | 162±105 nM |
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| Comments | Antagonist activity in MCF-7 assay, IC50= 46 +/- 15 nM, 100% antagonism; in the absence of 17beta-estradiol in the MCF-7 proliferation assay, compound displayed 12 +/- 5 % 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 beta |
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| Name: | Estrogen receptor beta |
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| Synonyms: | ER-beta | ESR2 | ESR2_HUMAN | ESTRB | Estradiol receptor beta (ERβ) | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | NR3A2 | Nuclear receptor subfamily 3 group A member 2 | estrogen beta |
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| Type: | Protein |
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| Mol. Mass.: | 59238.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q92731 |
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| Residue: | 530 |
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| Sequence: | MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
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| BDBM20615 |
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| 17beta-estradiol (E2) |
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| Name | BDBM20615 |
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| Synonyms: | 2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol | Piperidine Derivative, 38b |
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| Type | Small organic molecule |
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| Emp. Form. | C27H29FN2O |
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| Mol. Mass. | 416.5304 |
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| SMILES | CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(F)cc1 |
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| Structure | 
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