Reaction Details  Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM301007
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
3.40±n/a nM
Citation
 Barlaam, BC; O''Donovan, DH; Hughes, SJ; Moss, TA; Nissink, JW; Scott, JS; Yang, B Chemical compounds US Patent  US10961241 Publication Date 3/30/2021
Target
Name:
Estrogen receptor [307-554]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen receptor(ER) (aa 307-554) | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
28281.50
Organism:
Homo sapiens (Human)
Description:
aa 307-554
Residue:
248
Sequence:
ALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS
  
Inhibitor
Name:
BDBM301007
Synonyms:
(S)-6-(7-(2,2- difluoroethyl)- 8,8-dimethyl- 6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinolin- 6-yl)-N-(1-(3- fluoropropyl) azetidin-3- yl)pyridin-3- amine | US10131663, Example 73 | US10590130, Example 73 | US10961241, Example 73
Type:
Small organic molecule
Emp. Form.:
C25H31F3N6
Mol. Mass.:
472.549
SMILES:
CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
Structure:
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