Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM40494
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Potentiators Dose Response Confirmation
EC50
12671.02±n/a nM
Citation
 PubChem, PC Estrogen Receptor-alpha Coactivator Binding Potentiators 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:
BDBM40494
Synonyms:
MLS000036541 | SMR000042120 | cid_661492
Type:
Small organic molecule
Emp. Form.:
C24H23N5O3
Mol. Mass.:
429.4711
SMILES:
COCCCn1c2nc(C)n(-c3ccccc3OC)c(=O)c2c2nc3ccccc3nc12 |(13.64,6.58,;13.64,5.04,;12.31,4.27,;12.31,2.73,;10.98,1.96,;10.98,.42,;9.74,-.49,;8.19,-.13,;7.11,-1.3,;5.61,-.98,;7.6,-2.82,;6.57,-3.97,;7.06,-5.43,;6.03,-6.58,;4.52,-6.26,;4.04,-4.8,;5.07,-3.65,;4.59,-2.19,;3.08,-1.87,;9.16,-3.14,;9.66,-4.6,;10.21,-1.94,;11.74,-1.95,;12.78,-3.09,;14.28,-2.77,;15.34,-3.98,;16.91,-3.66,;17.4,-2.13,;16.32,-.95,;14.76,-1.31,;13.73,-.16,;12.22,-.48,)|
Structure:
Search PDB for entries with ligand similarity: