Reaction Details  Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM300969
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
22000±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:
BDBM300969
Synonyms:
BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)-6- deuterio-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 35 | US10590130, Example 32 | US10961241, Example 17 | US10961241, Example 36
Type:
Small organic molecule
Emp. Form.:
C24H28F4N6
Mol. Mass.:
476.5129
SMILES:
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
Structure:
Search PDB for entries with ligand similarity: