| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor [298-554] |
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| Ligand | BDBM521367 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Biochemical Antagonist Activity on Wild Type (WT) and Mutants |
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| IC50 | 3.00±n/a nM |
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| Citation |  Bouaboula, M; Brollo, M; Certal, V; El-Ahmad, Y; Filoche-Romme, B; Halley, F; McCort, G; Schio, L; Tabart, M; Terrier, C; Thompson, F Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof US Patent US11149031 Publication Date 10/19/2021 |
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| More Info.: | Get all data from this article, Assay Method |
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| Estrogen receptor [298-554] |
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| Name: | Estrogen receptor [298-554] |
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| Synonyms: | ESR | ESR1 | ESR1_HUMAN | Estrogen Receptor alpha (aa 298-554) | NR3A1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 29227.65 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03372[298-554] |
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| Residue: | 256 |
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| Sequence: | KRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMI
NWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCV
EGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRV
LDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYD
LLLEMLDAHRLHAPTS
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| BDBM521367 |
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| n/a |
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| Name | BDBM521367 |
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| Synonyms: | 4-[4- (difluoromethoxy)- 3-fluoro- phenyl]-5-[4- [(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol | US11149031, Example 191 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H29F4NO3S |
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| Mol. Mass. | 559.615 |
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| SMILES | Oc1ccc2c(SCCC(c3ccc(OC(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21| |
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| Structure | 
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