Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50089604
Substrate
n/a
Meas. Tech.
ChEMBL_1497284 (CHEMBL3578997)
IC50
5300±n/a nM
Citation
 Yang, C; Balsells, J; Chu, HD; Cox, JM; Crespo, A; Ma, X; Contino, L; Brown, P; Gao, S; Zamlynny, B; Wiltsie, J; Clemas, J; Lisnock, J; Gibson, J; Zhou, G; Garcia-Calvo, M; Bateman, TJ; Tong, V; Xu, L; Crook, M; Sinclair, P; Shen, HC Discovery of benzimidazole oxazolidinediones as novel and selective nonsteroidal mineralocorticoid receptor antagonists. ACS Med Chem Lett 6:461-5 (2015) [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:
BDBM50089604
Synonyms:
CHEMBL3578285
Type:
Small organic molecule
Emp. Form.:
C29H27FN4O4
Mol. Mass.:
514.5475
SMILES:
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r|
Structure:
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