Reaction Details Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM300979
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
4200±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:
BDBM300979
Synonyms:
N-(4-((6S,8R)- 7-(2,2- difluoroethyl)- 6,8-dimethyl- 6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinolin- 6-yl)-3- methoxyphenyl)- 1-(3- fluoropropyl) azetidin-3- amine | US10131663, Example 45 | US10590130, Example 45 | US10961241, Example 45
Type:
Small organic molecule
Emp. Form.:
C27H34F3N5O
Mol. Mass.:
501.587
SMILES:
COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Structure:
Search PDB for entries with ligand similarity: