Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM300977
Substrate
n/a
Meas. Tech.
MCF-7 ER Down-Regulation Assay
IC50
0.250±n/a nM
Citation
 Barlaam, BC; O Donovan, DH; Hughes, SJ; Moss, TA; Nissink, JW; Scott, JS; Yang, B Chemical compounds US Patent  US10131663 Publication Date 11/20/2018 
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:
BDBM300977
Synonyms:
6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinolin- 6-yl)-N-(1-(3- fluoropropyl) azetidin-3-yl)- N- methylpyridin- 3-amine | US10131663, Example 43 | US10590130, Example 43 | US10961241, Example 43
Type:
Small organic molecule
Emp. Form.:
C25H31F3N6
Mol. Mass.:
472.549
SMILES:
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
Structure:
Search PDB for entries with ligand similarity: