Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50368804
Substrate
n/a
Meas. Tech.
ChEMBL_1736208 (CHEMBL4151744)
IC50
0.200000±n/a nM
Citation
 Nagasawa, J; Govek, S; Kahraman, M; Lai, A; Bonnefous, C; Douglas, K; Sensintaffar, J; Lu, N; Lee, K; Aparicio, A; Kaufman, J; Qian, J; Shao, G; Prudente, R; Joseph, JD; Darimont, B; Brigham, D; Maheu, K; Heyman, R; Rix, PJ; Hager, JH; Smith, ND Identification of an Orally Bioavailable Chromene-Based Selective Estrogen Receptor Degrader (SERD) That Demonstrates Robust Activity in a Model of Tamoxifen-Resistant Breast Cancer. J Med Chem 61:7917-7928 (2018) [PubMed]  Article 
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:
BDBM50368804
Synonyms:
CHEMBL4163162
Type:
Small organic molecule
Emp. Form.:
C29H31NO4
Mol. Mass.:
457.5607
SMILES:
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1cccc(O)c1 |t:1|
Structure:
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