Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM42015
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
120±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:
BDBM42015
Synonyms:
3-[6-[4-(N-benzylanilino)piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[6-[4-(N-benzylanilino)piperidino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one | 3-[6-oxidanylidene-6-[4-[phenyl-(phenylmethyl)amino]piperidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[6-oxo-6-[4-(N-(phenylmethyl)anilino)-1-piperidinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one | AS-1010-56b | cid_24178279
Type:
Small organic molecule
Emp. Form.:
C32H36N4O2S
Mol. Mass.:
540.719
SMILES:
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: