Reaction Details Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM300975
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
2.40±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:
BDBM300975
Synonyms:
N-(2-fluoro-4- ((6R,8R)-8- methyl-7- (2,2,2- trifluoroethyl)- 6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinolin- 6-yl)phenyl)-1- (3- fluoropropyl) azetidin-3- amine | US10131663, Example 41 | US10590130, Example 41 | US10961241, Example 41
Type:
Small organic molecule
Emp. Form.:
C25H28F5N5
Mol. Mass.:
493.5153
SMILES:
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: