Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM412252
Substrate
n/a
Meas. Tech.
Biological Evaluation
EC50
13.8±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:
BDBM412252
Synonyms:
(5S,6R)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)amino)phenyl)-6- phenyl-5,6,7,8- tetrahydronaphthalen- 2-ol | US10399939, Example 131
Type:
Small organic molecule
Emp. Form.:
C28H31FN2O
Mol. Mass.:
430.5569
SMILES:
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: