Target
Estrogen receptor
Ligand
BDBM361454
Substrate
n/a
Meas. Tech.
MCF-7 ER Down-Regulation Assay
IC50
0.220±n/a nM
Citation
 Nissink, JWScott, JSMoss, TAHughes, SJBarlaam, BCYang, B Chemical compounds US Patent  US10221173 Publication Date 3/5/2019 
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:
BDBM361454
Synonyms:
2,2-difluoro-3- ((1R,3R)-6- fluoro-1-(5-(2- ((3- fluoropropyl) amino)ethoxy)- 2- methoxyphenyl)- 3-methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2- yl)propan-1-ol | US10221173, Example 46 | US10590132, Example 46 | US11046689, Example 46
Type:
Small organic molecule
Emp. Form.:
C27H33F4N3O3
Mol. Mass.:
523.5628
SMILES:
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r|
Structure:
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