Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM39898
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation
IC50
>50000±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:
BDBM39898
Synonyms:
8-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one | 8-[[[1-(2-furfuryl)tetrazol-5-yl]methyl-(2-thenyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one | 8-[[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one | 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one | 8-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-thiophen-2-ylmethyl-amino]-methyl}-2,3-dihydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one | MLS000031746 | SMR000004375 | cid_651216
Type:
Small organic molecule
Emp. Form.:
C24H22N6O4S
Mol. Mass.:
490.534
SMILES:
O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1
Structure:
Search PDB for entries with ligand similarity: