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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Estrogen receptor | ||
| Ligand | BDBM50238729 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1664056 (CHEMBL4013737) | ||
| Ki | 0.710000±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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| BDBM50238729 | |||
| n/a | |||
| Name | BDBM50238729 | ||
| Synonyms: | CHEMBL4098232 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H32O4 | ||
| Mol. Mass. | 444.562 | ||
| SMILES | OCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(3.61,-12.53,;4.95,-13.3,;6.28,-12.54,;7.61,-13.31,;8.95,-12.54,;10.28,-13.31,;10.28,-14.85,;11.62,-12.54,;12.95,-13.31,;14.28,-12.54,;14.29,-11,;15.61,-10.23,;16.95,-10.99,;16.95,-12.54,;15.62,-13.31,;18.28,-10.22,;19.62,-10.98,;19.62,-12.47,;18.43,-13.74,;19.92,-13.33,;21.33,-13.89,;22.34,-12.61,;20.95,-12.96,;22.36,-11.08,;20.96,-10.51,;19.92,-11.74,;18.27,-8.68,;19.61,-7.91,;19.6,-6.37,;18.27,-5.6,;18.26,-4.06,;16.93,-6.39,;16.94,-7.92,)| | ||
| Structure | 
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