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Target
Estrogen receptor
Ligand
BDBM50458886
Substrate
n/a
Meas. Tech.
ChEMBL_1764872 (CHEMBL4200119)
IC50
10.0±n/a nM
Citation
 Ning, W; Hu, Z; Tang, C; Yang, L; Zhang, S; Dong, C; Huang, J; Zhou, HB Novel Hybrid Conjugates with Dual Suppression of Estrogenic and Inflammatory Activities Display Significantly Improved Potency against Breast Cancer. J Med Chem 61:8155-8173 (2018) [PubMed]  Article 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | Estradiol receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | Nuclear receptor subfamily 3 group A member 1 | Estrogen receptor | ESR1_HUMAN | ESR1 | ESR | NR3A1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Human
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM50458886
Synonyms:
CHEMBL4217406
Type:
Small organic molecule
Emp. Form.:
C33H28O7S
Mol. Mass.:
568.65
SMILES:
Cc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |c:18,TLB:8:11:17.16:14,THB:25:16:14:11.12|
Structure:
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