Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50398937
Substrate
n/a
Meas. Tech.
ChEMBL_874808 (CHEMBL2188852)
EC50
23±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:
BDBM50398937
Synonyms:
CHEMBL2178793
Type:
Small organic molecule
Emp. Form.:
C25H20F3NO3
Mol. Mass.:
439.4264
SMILES:
CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F |(56.08,-39.94,;55.75,-38.44,;56.89,-37.4,;56.56,-35.9,;55.15,-35.28,;55.31,-33.74,;56.81,-33.42,;57.59,-34.75,;59.12,-34.9,;60.01,-33.66,;61.54,-33.81,;62.18,-35.21,;63.71,-35.37,;61.28,-36.46,;59.75,-36.31,;58.84,-37.56,;57.44,-32.01,;58.97,-31.85,;59.59,-30.44,;58.68,-29.2,;59.3,-27.79,;57.14,-29.37,;56.53,-30.78,;55,-30.95,;53.82,-36.05,;52.48,-35.29,;51.15,-36.06,;51.15,-37.6,;49.82,-38.37,;52.48,-38.37,;53.82,-37.6,;55.16,-38.37,)|
Structure:
Search PDB for entries with ligand similarity: