Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM361470
Substrate
n/a
Meas. Tech.
ERalpha Binding Assay
IC50
0.710±n/a nM
Citation
 Nissink, JW; Scott, JS; Moss, TA; Hughes, SJ; Barlaam, BC; Yang, B Selective estrogen receptor down-regulators US Patent  US11046689 Publication Date 6/29/2021 
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:
BDBM361470
Synonyms:
3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropyl) amino)ethoxy) phenyl)-5- fluoro-3- methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2-yl)- 2,2- difluoropropan-1- ol | US10221173, Example 62 | US10590132, Example 62 | US11046689, Example 62
Type:
Small organic molecule
Emp. Form.:
C26H29F6N3O2
Mol. Mass.:
529.5178
SMILES:
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
Structure:
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