Reaction Details  Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50126772
Substrate
n/a
Meas. Tech.
ChEMBL_67167 (CHEMBL681151)
Ki
290±n/a nM
Citation
 Schmidt, JM; Mercure, J; Tremblay, GB; Pagé, M; Kalbakji, A; Feher, M; Dunn-Dufault, R; Peter, MG; Redden, PR De novo design, synthesis, and evaluation of novel nonsteroidal phenanthrene ligands for the estrogen receptor. J Med Chem 46:1408-18 (2003) [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:
BDBM50126772
Synonyms:
7-Isopropenyl-4-methyl-9-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-phenanthren-2-ol | CHEMBL31738
Type:
Small organic molecule
Emp. Form.:
C31H33NO2
Mol. Mass.:
451.5992
SMILES:
CC(=C)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1
Structure:
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