Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50161613
Substrate
n/a
Meas. Tech.
ChEMBL_310473 (CHEMBL834417)
EC50
67±n/a nM
Citation
 Hamann, LG; Meyer, JH; Ruppar, DA; Marschke, KB; Lopez, FJ; Allegretto, EA; Karanewsky, DS Structure-activity relationships and sub-type selectivity in an oxabicyclic estrogen receptor alpha/beta agonist scaffold. Bioorg Med Chem Lett 15:1463-6 (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:
BDBM50161613
Synonyms:
3-Chloro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol | CHEMBL178317
Type:
Small organic molecule
Emp. Form.:
C17H21ClO3
Mol. Mass.:
308.8
SMILES:
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3Cl)[C@]1(C)C2 |t:1|
Structure:
Search PDB for entries with ligand similarity: