Reaction Details  Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50126768
Substrate
n/a
Meas. Tech.
ChEMBL_67329 (CHEMBL678663)
Ki
>1000±n/a nM
Citation
 Schmidt, JM; Mercure, J; Tremblay, GB; Pagé, M; Kalbakji, A; Feher, M; Dunn-Dufault, R; Peter, MG; Redden, PR De novo design, synthesis, and evaluation of novel nonsteroidal phenanthrene ligands for the estrogen receptor. J Med Chem 46:1408-18 (2003) [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:
BDBM50126768
Synonyms:
1-{7-Hydroxy-5-methyl-10-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-phenanthren-2-yl}-2-methyl-propan-1-one | CHEMBL33889
Type:
Small organic molecule
Emp. Form.:
C32H35NO3
Mol. Mass.:
481.6252
SMILES:
CC(C)C(=O)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: