Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM39949
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation
IC50
8229.68±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:
BDBM39949
Synonyms:
MLS000053822 | N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-morpholinylmethyl)-4-oxo-1H-quinazoline-7-carboxamide | N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxamide | N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxamide | N-(6-ethyl-1,3-benzothiazol-2-yl)-4-keto-2-(morpholinomethyl)-1H-quinazoline-7-carboxamide | SMR000068230 | cid_2542796
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3S
Mol. Mass.:
449.525
SMILES:
CCc1ccc2nc(NC(=O)c3ccc4c(c3)nc(CN3CCOCC3)[nH]c4=O)sc2c1
Structure:
Search PDB for entries with ligand similarity: