Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM40196
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation
IC50
5732.94±n/a nM
Citation
 PubChem, PC Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation PubChem Bioassay (2007)[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:
BDBM40196
Synonyms:
3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one | MLS000520775 | SMR000131184 | cid_4177562
Type:
Small organic molecule
Emp. Form.:
C22H23ClN4O2S
Mol. Mass.:
442.962
SMILES:
Clc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Structure:
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