Reaction Details Report a problem with these data
Target
Estrogen receptor [298-554,D538G]
Ligand
BDBM521384
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
7.00±n/a nM
Citation
Bouaboula, M; Brollo, M; Certal, V; El-Ahmad, Y; Filoche-Romme, B; Halley, F; McCort, G; Schio, L; Tabart, M; Terrier, C; Thompson, F Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof US Patent US11149031 Publication Date 10/19/2021
More Info.:
Target
Name:
Estrogen receptor [298-554,D538G]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen Receptor alpha (aa 298-554, D538G) | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29170.62
Organism:
Human
Description:
P03372[298-554,D538G]
Residue:
256
Sequence:
KRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYGLLLEMLDAHRLHAPTS
Inhibitor
Name:
BDBM521384
Synonyms:
4-(6-ethoxy-2- fluoro-3- pyridyl)-5-[6- [(3S)-1-(3- fluoropropyl)pyr- rolidin-3-yl]oxy- 3-pyridyl]-2,3- dihydro-1- benzothiepin-8- ol | US11149031, Example 208
Type:
Small organic molecule
Emp. Form.:
C29H31F2N3O3S
Mol. Mass.:
539.637
SMILES:
CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2SCC1 |r,c:11|