Reaction Details
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Estrogen receptor
Ligand
BDBM299117
Substrate
n/a
Meas. Tech.
ChEMBL_2022341 (CHEMBL4676154)
IC50
0.125893±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:
BDBM299117
Synonyms:
(6S,8R)-7-((l-fluorocyclopropyl)methyl)-6-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)-2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-3H-is pyrazolo[4,3-f]isoquinoline | US10125135, Example 6
Type:
Small organic molecule
Emp. Form.:
C28H34F2N4O2
Mol. Mass.:
496.592
SMILES:
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Structure:
