Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM42006
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
18750±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:
BDBM42006
Synonyms:
3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester | 3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester | AS-927-43a | cid_24178254 | methyl 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate | methyl 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Type:
Small organic molecule
Emp. Form.:
C24H25ClN4O4S
Mol. Mass.:
500.998
SMILES:
COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O
Structure:
Search PDB for entries with ligand similarity: