Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50542086
Substrate
n/a
Meas. Tech.
ChEMBL_1985949 (CHEMBL4619355)
IC50
0.031000±n/a nM
Citation
 Liang, J; Blake, R; Chang, J; Friedman, LS; Goodacre, S; Hartman, S; Ingalla, ER; Kiefer, JR; Kleinheinz, T; Labadie, S; Li, J; Lai, KW; Liao, J; Mody, V; McLean, N; Metcalfe, C; Nannini, M; Otwine, D; Ran, Y; Ray, N; Roussel, F; Sambrone, A; Sampath, D; Vinogradova, M; Wai, J; Wang, T; Yeap, K; Young, A; Zbieg, J; Zhang, B; Zheng, X; Zhong, Y; Wang, X Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. ACS Med Chem Lett 11:1342-1347 (2020) [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:
BDBM50542086
Synonyms:
CHEMBL4649161
Type:
Small organic molecule
Emp. Form.:
C28H33F4N3O
Mol. Mass.:
503.5747
SMILES:
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CCCF)C2)cc1F |r|
Structure:
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