Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50345337
Substrate
n/a
Meas. Tech.
ChEMBL_752205 (CHEMBL1786581)
IC50
1000000±n/a nM
Citation
 Hegazy, ME; El-Hamd H Mohamed, A; El-Halawany, AM; Djemgou, PC; Shahat, AA; Paré, PW Estrogenic activity of chemical constituents from Tephrosia candida. J Nat Prod 74:937-42 (2011) [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:
BDBM50345337
Synonyms:
2,3-Dihydro-7-hydroxy-8-[(Z)-3-hydroxy-3-methylbut-1-enyl-2-(4-hydroxyphenyl]-5-methoxychromen-4-one | CHEMBL1784259
Type:
Small organic molecule
Emp. Form.:
C21H22O6
Mol. Mass.:
370.3958
SMILES:
COc1cc(O)c(C=CC(C)(C)O)c2OC(CC(=O)c12)c1ccc(O)cc1 |w:7.6|
Structure:
Search PDB for entries with ligand similarity: