Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM269434
Substrate
n/a
Meas. Tech.
ER Transcription Assay (MCF7 Cells)
pH
5.1±n/a
Temperature
310.15±n/a K
IC50
19.0±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:
BDBM269434
Synonyms:
(E)-3-(4-((2-(2- cyclobutylphenyl)-6- hydroxybenzo[b] thiophen-3- yl)oxy)phenyl)acrylic acid | US10058534, 89
Type:
Small organic molecule
Emp. Form.:
C27H22O4S
Mol. Mass.:
442.526
SMILES:
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCC2)cc1
Structure:
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