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Target
Estrogen receptor beta
Ligand
BDBM50157151
Substrate
n/a
Meas. Tech.
ChEMBL_305959 (CHEMBL831972)
IC50
13±n/a nM
Citation
 Blizzard, TA; Dininno, F; Morgan, JD; Chen, HY; Wu, JY; Kim, S; Chan, W; Birzin, ET; Yang, YT; Pai, LY; Fitzgerald, PM; Sharma, N; Li, Y; Zhang, Z; Hayes, EC; Dasilva, CA; Tang, W; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg Med Chem Lett 15:107-13 (2004) [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:
BDBM50157151
Synonyms:
(2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-{2-[3-((R)-isopropyl)-pyrrolidin-1-yl]-ethoxy}-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL427324
Type:
Small organic molecule
Emp. Form.:
C29H33NO4S
Mol. Mass.:
491.642
SMILES:
CC(C)[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
Structure:
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