Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM306772
Substrate
n/a
Meas. Tech.
MCF-7 ER Down-Regulation Assay
IC50
0.087±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:
BDBM306772
Synonyms:
2,2-difluoro-3- ((1R,3R)-1-(4- (2-((3- fluoropropyl) amino)ethoxy)- 2-methoxy- phenyl)-3- methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2- yl)propan-1-ol | US10149839, Example 58
Type:
Small organic molecule
Emp. Form.:
C27H34F3N3O3
Mol. Mass.:
505.5724
SMILES:
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
Structure:
Search PDB for entries with ligand similarity: