Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM306748
Substrate
n/a
Meas. Tech.
MCF-7 ER Down-Regulation Assay
IC50
6.20±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:
BDBM306748
Synonyms:
3-fluoro-N-(2- ((5-((1R,3R)-2- ((3- fluorooxetan- 3-yl)methyl)- 3-methyl- 2,3,4,9- tetrahydro-1H- pyrido[3,4- b]indol-1- yl)pyridin-2- yl)oxy)ethyl) propan-1-amine | US10149839, Example 34
Type:
Small organic molecule
Emp. Form.:
C26H32F2N4O2
Mol. Mass.:
470.5547
SMILES:
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)nc1 |r|
Structure:
Search PDB for entries with ligand similarity: