Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM42005
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
42830±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:
BDBM42005
Synonyms:
3-[6-keto-6-[4-[4-(trifluoromethyl)phenyl]piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one | 3-[6-oxidanylidene-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[6-oxo-6-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[6-oxo-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one | AS-918-35b | cid_24178253
Type:
Small organic molecule
Emp. Form.:
C25H27F3N4O2S
Mol. Mass.:
504.568
SMILES:
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: