Reaction Details |
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Target | Estrogen receptor beta |
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Ligand | BDBM50055569 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_826712 (CHEMBL2051159) |
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Ki | 35±n/a nM |
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Citation | Chalmers, MJ; Wang, Y; Novick, S; Sato, M; Bryant, HU; Montrose-Rafizdeh, C; Griffin, PR; Dodge, JA Hydrophobic Interactions Improve Selectivity to ERa for Ben-zothiophene SERMs. ACS Med Chem Lett3:207-210 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Estrogen receptor beta |
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Name: | Estrogen receptor beta |
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 |
Type: | Protein |
Mol. Mass.: | 59238.43 |
Organism: | Homo sapiens (Human) |
Description: | Q92731 |
Residue: | 530 |
Sequence: | MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
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BDBM50055569 |
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n/a |
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Name | BDBM50055569 |
Synonyms: | CHEMBL46937 | [2-(4-Butyl-phenyl)-6-hydroxy-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone |
Type | Small organic molecule |
Emp. Form. | C32H35NO3S |
Mol. Mass. | 513.69 |
SMILES | CCCCc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 |
Structure |
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