Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM269451
Substrate
n/a
Meas. Tech.
ERalpha Degradation (MCF7 Cells)
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
4.10±n/a nM
Comments
extracted
Citation
 Burks, HE; Dechantsreiter, MA; He, G; Nunez, J; Peukert, S; Springer, C; Sun, Y; Thomsen, NM; Tria, GS; Yu, B Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders US Patent  US10058534 Publication Date 8/28/2018 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM269451
Synonyms:
(E)-3-(4-(2-(4,5- dimethyl-4H-1,2,4- triazol-3- yl)vinyl)phenoxy)-2-(4- fluoro-2- methylphenyl)benzo[b] thiophen-6-ol | US10058534, 106
Type:
Small organic molecule
Emp. Form.:
C27H22FN3O2S
Mol. Mass.:
471.546
SMILES:
Cc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(F)cc3C)cc2)n1C
Structure:
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