Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM299158
Substrate
n/a
Meas. Tech.
ERalpha binding assay
IC50
1.10±n/a nM
Citation
 Yang, B; Varnes, JG; Scott, JS; Moss, TA; O Donovan, DH; Nissink, JW; Hughes, SJ; Barlaam, BC Chemical compounds US Patent  US10125135 Publication Date 11/13/2018 
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:
BDBM299158
Synonyms:
3,5-difluoro-4- ((6S,8R)-7-(2- fluoro-2- methylpropyl)-8- methyl-6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinolin-6- yl)-N-(2-(3- (fluoromethyl) azetidin-1- yl)ethyl)aniline | US10125135, Example 47
Type:
Small organic molecule
Emp. Form.:
C27H33F4N5
Mol. Mass.:
503.578
SMILES:
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(NCCN2CC(CF)C2)cc1F |r|
Structure:
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