Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50161601
Substrate
n/a
Meas. Tech.
ChEMBL_310478 (CHEMBL834422)
EC50
50±n/a nM
Citation
 Hamann, LG; Meyer, JH; Ruppar, DA; Marschke, KB; Lopez, FJ; Allegretto, EA; Karanewsky, DS Structure-activity relationships and sub-type selectivity in an oxabicyclic estrogen receptor alpha/beta agonist scaffold. Bioorg Med Chem Lett 15:1463-6 (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:
BDBM50161601
Synonyms:
3-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol | CHEMBL361855
Type:
Small organic molecule
Emp. Form.:
C17H21FO3
Mol. Mass.:
292.3452
SMILES:
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@]1(C)C2 |t:1|
Structure:
Search PDB for entries with ligand similarity: