Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM361522
Substrate
n/a
Meas. Tech.
ERalpha Binding Assay
IC50
0.740±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:
BDBM361522
Synonyms:
3-fluoro-N-(2- ((5-methyl-6- ((1S,3R)-3- methyl-2- (2,2,2- trifluoroethyl)- 2,3,4,9- tetrahydro-1H- pyrido[3,4- b]indol-1- yl)pyrimidin- 4- yl)oxy)ethyl) propan-1-amine | US10221173, Example 114 | US10590132, Example 114 | US11046689, Example 114
Type:
Small organic molecule
Emp. Form.:
C24H29F4N5O
Mol. Mass.:
479.5136
SMILES:
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ncnc(OCCNCCCF)c1C |r|
Structure:
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