Reaction Details Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM300964
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
1.80±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:
BDBM300964
Synonyms:
5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-amine | US10131663, Example 30 | US10590130, Example 30 | US10961241, Example 30
Type:
Small organic molecule
Emp. Form.:
C24H27F5N6
Mol. Mass.:
494.5034
SMILES:
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
Structure:
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