Reaction Details Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM300943
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
3.50±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:
BDBM300943
Synonyms:
(6S,8R)-7-(2-fluoro-3-methoxy-2-methylpropyl)-6-(4-(1-(3-fluoropropyl)azetidin-3-yloxy)-2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinoline | US10131663, Example 12 | US10961241, Example 13
Type:
Small organic molecule
Emp. Form.:
C29H38F2N4O3
Mol. Mass.:
528.6338
SMILES:
COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC |r|
Structure:
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