Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM412227
Substrate
n/a
Meas. Tech.
Biological Evaluation
EC50
16.4±n/a nM
Citation
 Liang, J; Ortwine, DF; Wang, X; Zbieg, J Tetrahydronaphthalene estrogen receptor modulators and uses thereof US Patent  US10399939 Publication Date 9/3/2019 
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:
BDBM412227
Synonyms:
(5R,6R)-5-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)ethoxy)phenyl)- 6-(tetrahydro-2H- pyran-4-yl)-5,6,7,8- tetrahydronaphthalen- 2-ol | US10399939, Example 107
Type:
Small organic molecule
Emp. Form.:
C27H34FNO3
Mol. Mass.:
439.5622
SMILES:
Oc1ccc2[C@H]([C@H](CCc2c1)C1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Structure:
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