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Target
Estrogen receptor beta
Ligand
BDBM50169749
Substrate
n/a
Meas. Tech.
ChEMBL_306592 (CHEMBL832939)
IC50
5.3±n/a nM
Citation
 Blizzard, TA; DiNinno, F; Chen, HY; Kim, S; Wu, JY; Chan, W; Birzin, ET; Yang, YT; Pai, LY; Hayes, EC; DaSilva, CA; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 13: Dihydrobenzoxathiin SERAMs with an optimized antagonist side chain. Bioorg Med Chem Lett 15:3912-6 (2005) [PubMed]  Article 
Target
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:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLHCAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
  
Inhibitor
Name:
BDBM50169749
Synonyms:
(2S,3R)-5-Fluoro-3-(4-hydroxy-phenyl)-2-{4-[(S)-2-((R)-3-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL183090
Type:
Small organic molecule
Emp. Form.:
C28H30FNO4S
Mol. Mass.:
495.606
SMILES:
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1
Structure:
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