Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50089605
Substrate
n/a
Meas. Tech.
ChEMBL_1497344 (CHEMBL3579293)
IC50
4900±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
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM50089605
Synonyms:
CHEMBL3578284
Type:
Small organic molecule
Emp. Form.:
C29H23FN4O4
Mol. Mass.:
510.5157
SMILES:
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r|
Structure:
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