Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50574417
Substrate
n/a
Meas. Tech.
ChEMBL_2122402 (CHEMBL4831635)
IC50
53±n/a nM
Citation
 Disch, JS; Duffy, JM; Lee, ECY; Gikunju, D; Chan, B; Levin, B; Monteiro, MI; Talcott, SA; Lau, AC; Zhou, F; Kozhushnyan, A; Westlund, NE; Mullins, PB; Yu, Y; von Rechenberg, M; Zhang, J; Arnautova, YA; Liu, Y; Zhang, Y; McRiner, AJ; Keefe, AD; Kohlmann, A; Clark, MA; Cuozzo, JW; Huguet, C; Arora, S Bispecific Estrogen Receptor ? Degraders Incorporating Novel Binders Identified Using DNA-Encoded Chemical Library Screening. J Med Chem 64:5049-5066 (2021) [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:
BDBM50574417
Synonyms:
CHEMBL4870873
Type:
Small organic molecule
Emp. Form.:
C57H68ClFN8O8S
Mol. Mass.:
1079.715
SMILES:
C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)COCCOCc1cn(CCOc2ccc(cc2)N(Cc2cccc(O)c2Cl)CC2(CCCC2)c2ccccc2F)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
Structure:
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