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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Estrogen receptor | ||
| Ligand | BDBM50238735 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1664059 (CHEMBL4013740) | ||
| IC50 | 10±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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| BDBM50238735 | |||
| n/a | |||
| Name | BDBM50238735 | ||
| Synonyms: | CHEMBL4100247 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H37NO3 | ||
| Mol. Mass. | 471.6304 | ||
| SMILES | OCCCCCNC(=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,(2.2,-41.25,;3.53,-42.02,;4.87,-41.26,;6.2,-42.03,;7.54,-41.27,;8.87,-42.04,;10.2,-41.28,;11.53,-42.05,;11.53,-43.59,;12.88,-41.29,;14.21,-42.06,;15.54,-41.29,;15.55,-39.74,;16.87,-38.97,;18.21,-39.74,;18.21,-41.29,;16.88,-42.06,;19.54,-38.96,;20.88,-39.73,;20.88,-41.22,;19.69,-42.49,;21.18,-42.08,;22.59,-42.63,;23.6,-41.36,;22.21,-41.7,;23.62,-39.83,;22.22,-39.26,;21.18,-40.48,;19.53,-37.42,;20.87,-36.66,;20.86,-35.12,;19.53,-34.35,;19.52,-32.81,;18.19,-35.13,;18.2,-36.67,)| | ||
| Structure | 
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