Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM361498
Substrate
n/a
Meas. Tech.
ERalpha Binding Assay
IC50
0.650±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:
BDBM361498
Synonyms:
N1-(2-fluoro- 4-methoxy-3- ((1R,3R)-3- methyl-2- (2,2,2- trifluoroethyl)- 2,3,4,9- tetrahydro-1H- pyrido[3,4- b]indol-1- yl)phenyl)-N2- (3- fluoropropyl) ethane-1,2- diamine | US10221173, Example 90 | US10590132, Example 90 | US11046689, Example 90
Type:
Small organic molecule
Emp. Form.:
C26H31F5N4O
Mol. Mass.:
510.5426
SMILES:
COc1ccc(NCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
Structure:
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