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Target
Estrogen receptor [307-554]
Ligand
BDBM300996
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
>40000±n/a nM
Citation
 Barlaam, BC; O Donovan, DH; Hughes, SJ; Moss, TA; Nissink, JW; Scott, JS; Yang, B Chemical compounds US Patent  US10590130 Publication Date 3/17/2020 
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:
BDBM300996
Synonyms:
2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-((1- (3- fluoropropyl) azetidin-3- yl)amino)pyridin- 2-yl)-8- methyl- 3,6,8,9- tetrahydro-7H- pyrazolo[4,3- f]isoquinolin- 7-yl)propan-1- ol | US10131663, Example 62 | US10590130, Example 62 | US10961241, Example 62
Type:
Small organic molecule
Emp. Form.:
C25H29F5N6O
Mol. Mass.:
524.5294
SMILES:
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
Structure:
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