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Target
Estrogen receptor beta
Ligand
BDBM50224172
Substrate
n/a
Meas. Tech.
ChEMBL_450480 (CHEMBL900764)
IC50
780±n/a nM
Citation
 Knox, AJ; Meegan, MJ; Sobolev, V; Frost, D; Zisterer, DM; Williams, DC; Lloyd, DG Target specific virtual screening: optimization of an estrogen receptor screening platform. J Med Chem 50:5301-10 (2007) [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:
BDBM50224172
Synonyms:
CHEMBL235496 | methyl 4-(4-(2-fluorobenzyloxy)phenyl)-2-amino-7-hydroxy-4H-chromene-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C24H20FNO5
Mol. Mass.:
421.4177
SMILES:
COC(=O)C1C(c2ccc(OCc3ccccc3F)cc2)c2ccc(O)cc2OC1=N
Structure:
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