Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50154135
Substrate
n/a
Meas. Tech.
ChEMBL_306447 (CHEMBL829091)
IC50
3±n/a nM
Citation
 Malamas, MS; Manas, ES; McDevitt, RE; Gunawan, I; Xu, ZB; Collini, MD; Miller, CP; Dinh, T; Henderson, RA; Keith, JC; Harris, HA Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J Med Chem 47:5021-40 (2004) [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:
BDBM50154135
Synonyms:
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol | 2-(6-hydroxynaphthalen-1-yl)benzo[d]oxazol-6-ol | CHEMBL189077
Type:
Small organic molecule
Emp. Form.:
C17H11NO3
Mol. Mass.:
277.2741
SMILES:
Oc1ccc2nc(oc2c1)-c1cccc2cc(O)ccc12
Structure:
Search PDB for entries with ligand similarity: