Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor beta
LigandBDBM50275919
Substrate/Competitorn/a
Meas. Tech.ChEMBL_492827 (CHEMBL940316)
IC50 31±n/a nM
Citation Barrett, IMeegan, MJHughes, RBCarr, MKnox, AJArtemenko, NGolfis, GZisterer, DMLloyd, DG Synthesis, biological evaluation, structural-activity relationship, and docking study for a series of benzoxepin-derived estrogen receptor modulators. Bioorg Med Chem16:9554-73 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Estrogen receptor beta
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:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50275919
n/a
NameBDBM50275919
Synonyms:1-{2-[4-(8-Fluoro-4-phenyl-2,3-dihydro-benzo[b]oxepin-5-yl)-phenoxy]-ethyl}-pyrrolidine | CHEMBL469512
TypeSmall organic molecule
Emp. Form.C28H28FNO2
Mol. Mass.429.5258
SMILESFc1ccc2c(OCCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 |c:16|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: