Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50224173
Substrate
n/a
Meas. Tech.
ChEMBL_450479 (CHEMBL900763)
IC50
1100±n/a nM
Citation
 Knox, AJ; Meegan, MJ; Sobolev, V; Frost, D; Zisterer, DM; Williams, DC; Lloyd, DG Target specific virtual screening: optimization of an estrogen receptor screening platform. J Med Chem 50:5301-10 (2007) [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:
BDBM50224173
Synonyms:
3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one | CHEMBL429446
Type:
Small organic molecule
Emp. Form.:
C22H20N2O3
Mol. Mass.:
360.4058
SMILES:
COc1cc(ccc1O)C1Nc2ccccc2C(=O)N1Cc1ccccc1 |w:9.9|
Structure:
Search PDB for entries with ligand similarity: