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Target
Estrogen receptor
Ligand
BDBM50580158
Substrate
n/a
Meas. Tech.
ChEMBL_2147192 (CHEMBL5031538)
IC50
1.5±n/a nM
Citation
 Lowder, LL; Powell, M; Miller, SE; Kishton, RJ; Kelly, CB; Cribb, CB; Mastro-Kishton, K; Chelvanambi, M; Do, PT; Govindapur, RR; Wardell, SE; McDonnell, DP; Bartolotti, LJ; Akkaraju, GR; Frampton, AR; Varadarajan, S Mechanistic Investigation of Site-specific DNA Methylating Agents Targeting Breast Cancer Cells. J Med Chem 64:12651-12669 (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:
BDBM50580158
Synonyms:
CHEMBL5072592
Type:
Small organic molecule
Emp. Form.:
C43H60N6O8S
Mol. Mass.:
821.037
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCNC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)CCS(C)(=O)=O)cn4C)cn3C)[C@@]21[H] |r|
Structure:
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