Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Estrogen receptor | ||
| Ligand | BDBM50084967 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1476876 (CHEMBL3429910) | ||
| IC50 | 2.2±n/a nM | ||
| Citation |  Degorce, SL; Bailey, A; Callis, R; De Savi, C; Ducray, R; Lamont, G; MacFaul, P; Maudet, M; Martin, S; Morgentin, R; Norman, RA; Peru, A; Pink, JH; Plé, PA; Roberts, B; Scott, JS Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators. J Med Chem58:3522-33 (2015) [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: |
| ||
| BDBM50084967 | |||
| n/a | |||
| Name | BDBM50084967 | ||
| Synonyms: | CHEMBL3427395 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H16ClFO5 | ||
| Mol. Mass. | 450.843 | ||
| SMILES | OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(F)cc3Cl)c(=O)oc3cc(O)ccc23)cc1 |(-6.67,7.39,;-6.67,6.16,;-7.74,5.54,;-5.33,5.39,;-4,6.16,;-2.66,5.39,;-1.33,6.16,;0,5.39,;0,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;7.73,3.7,;6.66,1.54,;5.33,.77,;5.33,-.46,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,;-2.68,.77,;-1.33,1.54,;,.77,;-1.33,3.08,;-2.67,3.85,)| | ||
| Structure | 
| ||