| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor beta |
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| Ligand | BDBM19447 |
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| Substrate/Competitor | 17beta-estradiol (E2) |
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| Meas. Tech. | Estrogen Receptor Binding Assay. |
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| pH | 7.5±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 1800±100 nM |
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| Comments | Relative Binding Affinity (RBA) =0.009 +/- 0.005. |
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| Citation |  Qin, Z; Kastrati, I; Chandrasena, RE; Liu, H; Yao, P; Petukhov, PA; Bolton, JL; Thatcher, GR Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. J Med Chem50:2682-92 (2007) [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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| BDBM19447 |
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| 17beta-estradiol (E2) |
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| Name | BDBM19447 |
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| Synonyms: | 2-(4-methanesulfonylphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol | Arzoxifene analogue, 13 | CHEMBL389907 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H29NO5S2 |
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| Mol. Mass. | 523.664 |
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| SMILES | CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 |
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| Structure | 
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