Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM361533
Substrate
n/a
Meas. Tech.
ERalpha Binding Assay
IC50
1.30±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:
BDBM361533
Synonyms:
(S)-3-((1R,3R)- 1-(2- (difluoromethyl)- 6-fluoro-3- (2-((3- fluoropropyl) amino)ethoxy) phenyl)-3- methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2-yl)- 2- methylpropanoic acid | US10221173, Example 125 | US10590132, Example 125 | US11046689, Example 125
Type:
Small organic molecule
Emp. Form.:
C28H33F4N3O3
Mol. Mass.:
535.5735
SMILES:
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C(F)F)C(O)=O |r|
Structure:
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