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Target
Estrogen receptor [Y537S]
Ligand
BDBM263757
Substrate
n/a
Meas. Tech.
Estrogen Receptor Coactivator Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
18.0±n/a nM
Comments
extracted
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 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof US Patent  US9714221 Publication Date 7/25/2017 
Target
Name:
Estrogen receptor [Y537S]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen receptor (Y537S) | Estrogen receptor alpha Y537S | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
66154.35
Organism:
Homo sapiens (Human)
Description:
P03372[Y537S]
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM263757
Synonyms:
5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-(6- methoxy- 4-methyl- 3-pyridyl)- 8,9- dihydro- 7H- benzo[7]- annulen-2-ol | US9714221, Example 91
Type:
Small organic molecule
Emp. Form.:
C31H35FN2O3
Mol. Mass.:
502.6196
SMILES:
COc1cc(C)c(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Structure:
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