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TargetEstrogen receptor beta
LigandBDBM50275967
Substrate/Competitorn/a
Meas. Tech.ChEMBL_492827 (CHEMBL940316)
IC50>15000±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:
BDBM50275967
n/a
NameBDBM50275967
Synonyms:1-(2-{4-[8-Fluoro-4-(4-methanesulfonyl-phenyl)-2,3-dihydro-benzo[b]oxepin-5-yl]-phenoxy}-ethyl)-pyrrolidine | CHEMBL513735
TypeSmall organic molecule
Emp. Form.C29H30FNO4S
Mol. Mass.507.616
SMILESCS(=O)(=O)c1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:11|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: