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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Estrogen receptor | ||
| Ligand | BDBM50238727 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1664056 (CHEMBL4013737) | ||
| Ki | 0.130000±n/a nM | ||
| Citation |  Min, J; Guillen, VS; Sharma, A; Zhao, Y; Ziegler, Y; Gong, P; Mayne, CG; Srinivasan, S; Kim, SH; Carlson, KE; Nettles, KW; Katzenellenbogen, BS; Katzenellenbogen, JA Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells. J Med Chem60:6321-6336 (2017) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Estrogen receptor | |||
| Name: | Estrogen receptor | ||
| 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 | ||
| Type: | Protein | ||
| Mol. Mass.: | 66230.44 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P03372 | ||
| Residue: | 595 | ||
| Sequence: |
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| BDBM50238727 | |||
| n/a | |||
| Name | BDBM50238727 | ||
| Synonyms: | CHEMBL4065838 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H35NO4 | ||
| Mol. Mass. | 473.6032 | ||
| SMILES | OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(4,-23.69,;5.34,-22.92,;6.67,-23.7,;8,-22.93,;8.01,-21.39,;6.68,-20.62,;6.68,-19.08,;9.33,-23.71,;9.33,-25.25,;10.67,-22.94,;12.01,-23.71,;13.34,-22.94,;13.34,-21.4,;14.67,-20.63,;16.01,-21.39,;16.01,-22.94,;14.68,-23.71,;17.34,-20.61,;18.68,-21.38,;18.68,-22.87,;17.49,-24.14,;18.98,-23.73,;20.39,-24.29,;21.4,-23.01,;20,-23.35,;21.42,-21.48,;20.01,-20.91,;18.98,-22.14,;17.33,-19.07,;18.67,-18.31,;18.66,-16.77,;17.32,-16,;17.32,-14.46,;15.99,-16.79,;16,-18.32,)| | ||
| Structure | 
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