Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM19460
Substrate
n/a
Meas. Tech.
ChEMBL_1784660 (CHEMBL4256177)
EC50
5.0±n/a nM
Citation
 Hajirahimkhan, A; Mbachu, O; Simmler, C; Ellis, SG; Dong, H; Nikolic, D; Lankin, DC; van Breemen, RB; Chen, SN; Pauli, GF; Dietz, BM; Bolton, JL Estrogen Receptor (ER) Subtype Selectivity Identifies 8-Prenylapigenin as an ER? Agonist from Glycyrrhiza inflata and Highlights the Importance of Chemical and Biological Authentication. J Nat Prod 81:966-975 (2018) [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:
BDBM19460
Synonyms:
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one | 8-prenylnaringenin (8-PN) | AIDS095901 | CHEMBL376915 | YS04 | cid_509245
Type:
Phytoestrogen
Emp. Form.:
C20H20O5
Mol. Mass.:
340.3698
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
Structure:
Search PDB for entries with ligand similarity: