Reaction Details
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Estrogen receptor
Ligand
BDBM50548432
Substrate
n/a
Meas. Tech.
ChEMBL_2022341 (CHEMBL4676154)
IC50
0.158489±n/a nM
Citation
Scott, JS; Moss, TA; Balazs, A; Barlaam, B; Breed, J; Carbajo, RJ; Chiarparin, E; Davey, PRJ; Delpuech, O; Fawell, S; Fisher, DI; Gagrica, S; Gangl, ET; Grebe, T; Greenwood, RD; Hande, S; Hatoum-Mokdad, H; Herlihy, K; Hughes, S; Hunt, TA; Huynh, H; Janbon, SLM; Johnson, T; Kavanagh, S; Klinowska, T; Lawson, M; Lister, AS; Marden, S; McGinnity, DF; Morrow, CJ; Nissink, JWM; O'Donovan, DH; Peng, B; Polanski, R; Stead, DS; Stokes, S; Thakur, K; Throner, SR; Tucker, MJ; Varnes, J; Wang, H; Wilson, DM; Wu, D; Wu, Y; Yang, B; Yang, W Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J Med Chem 63:14530-14559 (2020) [PubMed] Article More Info.:
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:
BDBM50548432
Synonyms:
CHEMBL4785486
Type:
Small organic molecule
Emp. Form.:
C25H29F4N5
Mol. Mass.:
475.5249
SMILES:
C[C@@H]1Cc2c(ccc3[nH]ccc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
Structure:
