Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM349624
Substrate
n/a
Meas. Tech.
Human ERalpha Reporter Assay
IC50
<1000±n/a nM
Citation
 Strum, JC Benzothiophene estrogen receptor modulators US Patent  US10981887 Publication Date 4/20/2021 
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:
BDBM349624
Synonyms:
(S)-(4-fluoro-2,6-dimethylphenyl)(6- hydroxy-3-(4-(2-(3-methylpyrrolidin-1- yl)ethyl)phenoxy)benzo[b]thiophen-2- yl)methanone | US10208011, Compound 118 | US10981887, Compound 118
Type:
Small organic molecule
Emp. Form.:
C30H30FNO3S
Mol. Mass.:
503.628
SMILES:
C[C@H]1CCN(CCc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3c(C)cc(F)cc3C)cc2)C1 |r|
Structure:
Search PDB for entries with ligand similarity: