Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM42019
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
90±n/a nM
Citation
 PubChem, PC Estrogen Receptor-alpha Coactivator Binding Inhibitors ELISA Secondary Assay PubChem Bioassay (2008)[AID] 
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:
BDBM42019
Synonyms:
2-[4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1-piperazinyl]benzonitrile | 2-[4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazino]benzonitrile | 2-[4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzenecarbonitrile | 2-[4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzonitrile | AS-1029-64 | cid_24178283
Type:
Small organic molecule
Emp. Form.:
C25H27N5O2S
Mol. Mass.:
461.579
SMILES:
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccccc1C#N
Structure:
Search PDB for entries with ligand similarity: