Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50398938
Substrate
n/a
Meas. Tech.
ChEMBL_874806 (CHEMBL2188850)
EC50
0.27±n/a nM
Citation
 Schäfer, A; Wellner, A; Strauss, M; Schäfer, A; Wolber, G; Gust, R Influence of chlorine or fluorine substitution on the estrogenic properties of 1-alkyl-2,3,5-tris(4-hydroxyphenyl)-1H-pyrroles. J Med Chem 55:9607-18 (2012) [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:
BDBM50398938
Synonyms:
CHEMBL2178792
Type:
Small organic molecule
Emp. Form.:
C25H21F2NO3
Mol. Mass.:
421.4359
SMILES:
CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(39.48,-40.05,;39.15,-38.54,;40.29,-37.51,;39.96,-36,;38.56,-35.38,;38.71,-33.85,;40.22,-33.52,;40.99,-34.86,;42.52,-35.01,;43.41,-33.76,;44.94,-33.91,;45.58,-35.32,;47.11,-35.48,;44.68,-36.57,;43.15,-36.42,;42.25,-37.67,;40.84,-32.12,;42.37,-31.96,;42.99,-30.55,;42.08,-29.31,;42.7,-27.9,;40.54,-29.48,;39.93,-30.89,;37.22,-36.16,;35.88,-35.4,;34.55,-36.17,;34.55,-37.71,;33.22,-38.48,;35.89,-38.48,;37.22,-37.71,;38.56,-38.48,)|
Structure:
Search PDB for entries with ligand similarity: