Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM300994
Substrate
n/a
Meas. Tech.
ChEMBL_2022341 (CHEMBL4676154)
IC50
0.199526±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:
BDBM300994
Synonyms:
2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropyl) azetidin-3- yl)amino)-2- methoxyphenyl)- 8-methyl- 3,6,8,9- tetrahydro-7H- pyrazolo[4,3- f]isoquinolin- 7-yl)propan-1- ol | US10131663, Example 60 | US10961241, Example 60
Type:
Small organic molecule
Emp. Form.:
C27H34F3N5O2
Mol. Mass.:
517.5864
SMILES:
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|