Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM361518
Substrate
n/a
Meas. Tech.
ERalpha Binding Assay
IC50
0.430±n/a nM
Citation
 Nissink, JW; Scott, JS; Moss, TA; Hughes, SJ; Barlaam, BC; Yang, 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:
BDBM361518
Synonyms:
2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- fluoropropyl) amino)ethoxy)- 3- methylpyridin- 4-yl)-3- methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2- yl)propan-1-ol | US10221173, Example 110 | US10590132, Example 110 | US11046689, Example 110
Type:
Small organic molecule
Emp. Form.:
C26H32F4N4O2
Mol. Mass.:
508.5515
SMILES:
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C |r|
Structure:
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