Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50169748
Substrate
n/a
Meas. Tech.
ChEMBL_325825 (CHEMBL863237)
IC50
52±n/a nM
Citation
 Blizzard, TA; Morgan, JD; Chan, W; Birzin, ET; Pai, LY; Hayes, EC; DaSilva, CA; Mosley, RT; Yang, YT; Rohrer, SP; Dininno, F; Hammond, ML Estrogen receptor ligands. Part 14: application of novel antagonist side chains to existing platforms. Bioorg Med Chem Lett 15:5124-8 (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:
BDBM50169748
Synonyms:
(2S,3R)-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 | (2S,3R)-3-(4-hydroxyphenyl)-2-(4-((S)-2-((R)-3-methylpyrrolidin-1-yl)propoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol | CHEMBL182402
Type:
Small organic molecule
Emp. Form.:
C28H31NO4S
Mol. Mass.:
477.615
SMILES:
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1
Structure:
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