Reaction Details | |||
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Target | Estrogen receptor | ||
Ligand | BDBM50238720 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1664059 (CHEMBL4013740) | ||
IC50 | 4.3±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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BDBM50238720 | |||
n/a | |||
Name | BDBM50238720 | ||
Synonyms: | CHEMBL4102857 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H35NO3 | ||
Mol. Mass. | 457.6038 | ||
SMILES | OCCCCNC(=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,(2.78,-26.63,;4.11,-25.87,;5.45,-26.64,;6.78,-25.88,;8.11,-26.65,;9.45,-25.89,;10.78,-26.66,;10.77,-28.2,;12.12,-25.89,;13.45,-26.67,;14.79,-25.9,;14.79,-24.35,;16.12,-23.58,;17.45,-24.35,;17.46,-25.9,;16.12,-26.67,;18.79,-23.57,;20.12,-24.34,;20.13,-25.83,;18.93,-27.1,;20.43,-26.68,;21.84,-27.24,;22.85,-25.96,;21.45,-26.31,;22.87,-24.44,;21.46,-23.86,;20.42,-25.09,;18.78,-22.03,;20.11,-21.26,;20.11,-19.73,;18.77,-18.96,;18.76,-17.42,;17.44,-19.74,;17.45,-21.28,)| | ||
Structure |