Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50475360
Substrate
n/a
Meas. Tech.
ChEMBL_304021 (CHEMBL840199)
Ki
25±n/a nM
Citation
 Hoekstra, WJ; Patel, HS; Liang, X; Blanc, JB; Heyer, DO; Willson, TM; Iannone, MA; Kadwell, SH; Miller, LA; Pearce, KH; Simmons, CA; Shearin, J Discovery of novel quinoline-based estrogen receptor ligands using peptide interaction profiling. J Med Chem 48:2243-7 (2005) [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:
BDBM50475360
Synonyms:
CHEMBL193865
Type:
Small organic molecule
Emp. Form.:
C31H30N2O3
Mol. Mass.:
478.5815
SMILES:
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(=O)N3CCCCC3)cc2)c1-c1ccccc1
Structure:
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