Reaction Details | |||
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Target | Estrogen receptor | ||
Ligand | BDBM50238723 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1664056 (CHEMBL4013737) | ||
Ki | 7.1±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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BDBM50238723 | |||
n/a | |||
Name | BDBM50238723 | ||
Synonyms: | CHEMBL4072205 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H42O3 | ||
Mol. Mass. | 498.6955 | ||
SMILES | CC(C)CCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(41.54,-24.01,;42.88,-23.24,;42.88,-21.7,;44.21,-24.01,;45.54,-23.24,;46.88,-24.01,;48.21,-23.25,;49.54,-24.02,;50.88,-23.25,;52.21,-24.02,;52.21,-25.56,;53.55,-23.25,;54.88,-24.02,;56.21,-23.25,;56.21,-21.71,;57.54,-20.94,;58.88,-21.7,;58.88,-23.25,;57.55,-24.02,;60.21,-20.93,;61.55,-21.69,;61.55,-23.18,;60.36,-24.45,;61.85,-24.04,;63.26,-24.6,;64.27,-23.32,;62.87,-23.67,;64.29,-21.79,;62.89,-21.22,;61.85,-22.45,;60.2,-19.39,;61.54,-18.62,;61.53,-17.08,;60.2,-16.31,;60.19,-14.77,;58.86,-17.1,;58.87,-18.63,)| | ||
Structure |