Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50031815
Substrate
n/a
Meas. Tech.
ChEMBL_1433493 (CHEMBL3382763)
IC50
18000±n/a nM
Citation
 O'Boyle, NM; Pollock, JK; Carr, M; Knox, AJ; Nathwani, SM; Wang, S; Caboni, L; Zisterer, DM; Meegan, MJ ß-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand. J Med Chem 57:9370-82 (2014) [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:
BDBM50031815
Synonyms:
CHEMBL3360849
Type:
Small organic molecule
Emp. Form.:
C24H23NO6
Mol. Mass.:
421.4425
SMILES:
COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Structure:
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