Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM306791
Substrate
n/a
Meas. Tech.
ERalpha Binding Assay
IC50
2.10±n/a nM
Citation
 Scott, JS; Moss, TA; O Donovan, DH; Nissink, JW; Hughes, SJ; Barlaam, BC; Broo, DA; Yang, B; Varnes, JG; Wu, D Chemical compounds US Patent  US10149839 Publication Date 12/11/2018 
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:
BDBM306791
Synonyms:
N-(2-((5- ((1R,3R)-2- (2,2-difluoro- propyl)-3- methyl- 2,3,4,9- tetrahydro-1H- pyrido[3,4- b]indol-1-yl)- 6-methoxy- pyridin-2- yl)oxy)ethyl)- 3-fluoro- propan-1-amine | US10149839, Example 77
Type:
Small organic molecule
Emp. Form.:
C26H33F3N4O2
Mol. Mass.:
490.561
SMILES:
COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
Structure:
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