Reaction Details |
| Report a problem with these data |
Target | Estrogen receptor beta |
---|
Ligand | BDBM20611 |
---|
Substrate/Competitor | 17beta-estradiol (E2) |
---|
Meas. Tech. | ER-beta Radioligand Binding Assay and ERE-Luciferase Reporter Assay. |
---|
pH | 7.4±n/a |
---|
Temperature | 295.15±n/a K |
---|
IC50 | 173±n/a nM |
---|
EC50 | 399±6 nM |
---|
Comments | Antagonist activity in MCF-7 assay, IC50= 30 +/- 11 nM, 100% antagonism; in the absence of 17beta-estradiol in the MCF-7 proliferation assay, compound displayed 10 +/- 5 % agonistic effect. |
---|
Citation | Renaud, J; Bischoff, SF; Buhl, T; Floersheim, P; Fournier, B; Geiser, M; Halleux, C; Kallen, J; Keller, H; Ramage, P Selective estrogen receptor modulators with conformationally restricted side chains. Synthesis and structure-activity relationship of ERalpha-selective tetrahydroisoquinoline ligands. J Med Chem48:364-79 (2005) [PubMed] Article |
---|
More Info.: | Get all data from this article, Solution Info, Assay Method |
---|
|
Estrogen receptor beta |
---|
Name: | Estrogen receptor beta |
Synonyms: | ER-beta | ESR2 | ESR2_HUMAN | ESTRB | Estradiol receptor beta (ERβ) | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | NR3A2 | Nuclear receptor subfamily 3 group A member 2 | estrogen beta |
Type: | Protein |
Mol. Mass.: | 59238.43 |
Organism: | Homo sapiens (Human) |
Description: | Q92731 |
Residue: | 530 |
Sequence: | MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
|
|
|
BDBM20611 |
---|
17beta-estradiol (E2) |
---|
Name | BDBM20611 |
Synonyms: | 1-[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol | Piperazine Derivative, 31 |
Type | Small organic molecule |
Emp. Form. | C28H33N3O |
Mol. Mass. | 427.5811 |
SMILES | CCN1CCN(CC1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1 |
Structure |
|