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Target
Estrogen receptor
Ligand
BDBM50106635
Substrate
n/a
Meas. Tech.
ChEMBL_1784660 (CHEMBL4256177)
EC50
80±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:
BDBM50106635
Synonyms:
(+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3-Bis-(4-hydroxy-phenyl)-propionitrile | 2,3-bis(4-hydroxyphenyl)propanenitrile | CHEMBL334773 | DIARYLPROPIONITRILE
Type:
Small organic molecule
Emp. Form.:
C15H13NO2
Mol. Mass.:
239.2692
SMILES:
Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: