Reaction Details | |||
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Target | Estrogen receptor | ||
Ligand | BDBM50169743 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1661563 (CHEMBL4011175) | ||
IC50 | 0.060000±n/a nM | ||
Citation | Burks, HE; Abrams, T; Kirby, CA; Baird, J; Fekete, A; Hamann, LG; Kim, S; Lombardo, F; Loo, A; Lubicka, D; Macchi, K; McDonnell, DP; Mishina, Y; Norris, JD; Nunez, J; Saran, C; Sun, Y; Thomsen, NM; Wang, C; Wang, J; Peukert, S Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERa+ Breast Cancer. J Med Chem60:2790-2818 (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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BDBM50169743 | |||
n/a | |||
Name | BDBM50169743 | ||
Synonyms: | (13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | (7R,13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | (7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | (7R,8R,9S,13S,14S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentyldihydrosulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | CHEMBL1358 | FULVESTRANT | Faslodex | Fluvestrant | ICI-182780 | US10227334, Fulvestrant | ZD-9238 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H47F5O3S | ||
Mol. Mass. | 606.771 | ||
SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| | ||
Structure |