Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM412246
Substrate
n/a
Meas. Tech.
Biological Evaluation
EC50
>100.0±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:
BDBM412246
Synonyms:
(5R,6S)-5-(4-(((R)-1- ((R)-3- (fluoromethyl)pyrrolidin- 1-yl)propan-2- yl)oxy)phenyl)-6- phenyl-5,6,7,8- tetrahydronaphthalen- 2-ol | US10399939, Example 125
Type:
Small organic molecule
Emp. Form.:
C30H34FNO2
Mol. Mass.:
459.5949
SMILES:
C[C@H](CN1CC[C@@H](CF)C1)Oc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1 |r|
Structure:
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