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Target
Estrogen receptor
Ligand
BDBM306731
Substrate
n/a
Meas. Tech.
MCF-7 ER Down-Regulation Assay
IC50
0.086±n/a nM
Citation
 Scott, JS; Moss, TA; O Donovan, DH; Nissink, JW; Hughes, SJ; Barlaam, BC; Broo, DA; Yang, B; Varnes, JG; Wu, D Chemical compounds US Patent  US10149839 Publication Date 12/11/2018
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:
BDBM306731
Synonyms:
3-((1R,3R)-1- (2,6-difluoro- 4-(2-((3- fluoropropyl) amino)ethoxy) phenyl)-3- methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2-yl)- 2-fluoro-2- methylpropan- 1-ol | BDBM306732 | US10149839, Example 17
Type:
Small organic molecule
Emp. Form.:
C27H33F4N3O2
Mol. Mass.:
507.5634
SMILES:
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F |r|
Structure:
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