Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM269447
Substrate
n/a
Meas. Tech.
ERalpha Degradation (MCF7 Cells)
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.600±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:
BDBM269447
Synonyms:
(E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-1,3,4- oxadiazol-2- yl)vinyl)phenoxy)benzo [b]thiophen-6-ol | US10058534, 102
Type:
Small organic molecule
Emp. Form.:
C28H24N2O3S
Mol. Mass.:
468.567
SMILES:
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1
Structure:
Search PDB for entries with ligand similarity: