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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Estrogen receptor | ||
| Ligand | BDBM50238743 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1664059 (CHEMBL4013740) | ||
| IC50 | 2.9±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: |
| ||
| BDBM50238743 | |||
| n/a | |||
| Name | BDBM50238743 | ||
| Synonyms: | CHEMBL4070669 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H36N2O2 | ||
| Mol. Mass. | 456.619 | ||
| SMILES | CN(C)CCNC(=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,(51.58,-12.21,;51.58,-10.67,;50.25,-9.9,;52.92,-9.91,;54.25,-10.68,;55.59,-9.92,;56.92,-10.69,;56.91,-12.23,;58.26,-9.93,;59.59,-10.7,;60.93,-9.93,;60.93,-8.38,;62.26,-7.61,;63.59,-8.38,;63.6,-9.93,;62.26,-10.7,;64.92,-7.6,;66.26,-8.37,;66.27,-9.86,;65.07,-11.13,;66.57,-10.72,;67.98,-11.27,;68.98,-10,;67.59,-10.34,;69,-8.47,;67.6,-7.9,;66.56,-9.12,;64.92,-6.06,;66.25,-5.3,;66.25,-3.76,;64.91,-2.99,;64.9,-1.45,;63.57,-3.77,;63.59,-5.31,)| | ||
| Structure | 
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