Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM42022
Substrate
n/a
Meas. Tech.
Estrogen Receptor (alpha) binding: Dose Response of Primary Screen Assay
EC50
367.3±n/a nM
Citation
 PubChem, PC Estrogen Receptor (alpha) binding: Dose Response of Primary Screen 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:
BDBM42022
Synonyms:
2-(2-furoyl)-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide | 2-(furan-2-carbonyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide | 2-(furan-2-ylcarbonyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide | 2-[2-furanyl(oxo)methyl]-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide | MLS000053529 | SMR000064270 | cid_2999193
Type:
Small organic molecule
Emp. Form.:
C26H24F3N3O4
Mol. Mass.:
499.4817
SMILES:
FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1
Structure:
Search PDB for entries with ligand similarity: