Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Estrogen receptor | ||
| Ligand | BDBM50238714 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_1664056 | ||
| Ki | 0.740000±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: |
| ||
| BDBM50238714 | |||
| n/a | |||
| Name | BDBM50238714 | ||
| Synonyms: | CHEMBL4081969 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H37NO2 | ||
| Mol. Mass. | 455.631 | ||
| SMILES | CCCCCNC(=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,(49.38,-23.42,;50.72,-22.66,;52.05,-23.43,;53.39,-22.67,;54.72,-23.44,;56.05,-22.68,;57.38,-23.45,;57.38,-24.99,;58.73,-22.68,;60.06,-23.45,;61.39,-22.68,;61.39,-21.14,;62.72,-20.37,;64.06,-21.13,;64.06,-22.68,;62.73,-23.46,;65.39,-20.36,;66.73,-21.12,;66.73,-22.62,;65.54,-23.88,;67.03,-23.47,;68.44,-24.03,;69.45,-22.75,;68.05,-23.1,;69.47,-21.22,;68.07,-20.65,;67.03,-21.88,;65.38,-18.82,;66.72,-18.05,;66.71,-16.51,;65.38,-15.75,;65.37,-14.21,;64.04,-16.53,;64.05,-18.07,)| | ||
| Structure | 
| ||