Reaction Details | |||
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Target | Estrogen receptor | ||
Ligand | BDBM50238728 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1664056 (CHEMBL4013737) | ||
Ki | 0.450000±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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BDBM50238728 | |||
n/a | |||
Name | BDBM50238728 | ||
Synonyms: | CHEMBL4089824 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H34O4 | ||
Mol. Mass. | 458.5886 | ||
SMILES | OCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(2.92,-25.43,;4.26,-24.66,;5.59,-25.43,;6.93,-24.66,;8.26,-25.43,;9.59,-24.66,;10.93,-25.43,;10.93,-26.97,;12.26,-24.67,;13.59,-25.44,;14.93,-24.67,;14.93,-23.12,;16.26,-22.35,;17.59,-23.12,;17.6,-24.67,;16.26,-25.44,;18.93,-22.34,;20.26,-23.11,;20.27,-24.6,;19.07,-25.87,;20.57,-25.46,;21.98,-26.01,;22.99,-24.74,;21.59,-25.08,;23.01,-23.21,;21.6,-22.64,;20.56,-23.86,;18.92,-20.8,;20.25,-20.04,;20.25,-18.5,;18.91,-17.73,;18.9,-16.19,;17.58,-18.51,;17.59,-20.05,)| | ||
Structure |