Target
Acetylcholine receptor subunit epsilon
Ligand
BDBM50448371
Substrate
n/a
Meas. Tech.
ChEMBL_1292388 (CHEMBL3123981)
IC50
22909±n/a nM
Citation
 Matera, CFlammini, LQuadri, MVivo, VBallabeni, VHolzgrabe, UMohr, KDe Amici, MBarocelli, EBertoni, SDallanoce, C Bis(ammonio)alkane-type agonists of muscarinic acetylcholine receptors: synthesis, in vitro functional characterization, and in vivo evaluation of their analgesic activity. Eur J Med Chem 75:222-32 (2014) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit epsilon
Synonyms:
ACHE_RAT | Acetylcholine receptor protein epsilon chain | Achre | Chrne
Type:
PROTEIN
Mol. Mass.:
54930.09
Organism:
Rattus norvegicus
Description:
ChEMBL_1292388
Residue:
494
Sequence:
MTMALLGTLLLLALFGRSQGKNEELSLYHHLFDNYDPECRPVRRPEDTVTITLKVTLTNLISLNEKEETLTTSVWIGIEWQDYRLNFSKDDFAGVEILRVPSEHVWLPEIVLENNIDGQFGVAYDCNVLVYEGGSVSWLPPAIYRSTCAVEVTYFPFDWQNCSLIFRSQTYNAEEVELIFAVDDDGNAINKIDIDTAAFTENGEWAIDYCPGMIRHYEGGSTEDPGETDVIYTLIIRRKPLFYVINIIVPCVLISGLVLLAYFLPAQAGGQKCTVSINVLLAQTVFLFLIAQKIPETSLSVPLLGRYLIFVMVVATLIVMNCVIVLNVSLRTPTTHATSPRLRQILLELLPRLLGLSPPPEDPGAASPARRASSVGILLRAEELILKKPRSELVFEGQRHRHGTWTAAALCQNLGAAAPEVRCCVDAVNFVAESTRDQEATGEELSDWVRMGKALDNVCFWAALVLFSVGSTLIFLGGYFNQVPDLPYPPCIQP
  
Inhibitor
Name:
BDBM50448371
Synonyms:
CHEMBL3121480
Type:
Small organic molecule
Emp. Form.:
C33H44N4O4
Mol. Mass.:
560.7258
SMILES:
C[N+](C)(CCCCCC[N+]1(C)CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23)CC#CCOC1=NOCC1 |t:40,(26.01,-22.81,;26.76,-24.15,;27.54,-22.83,;25.23,-24.16,;24.45,-22.84,;22.91,-22.84,;22.13,-21.52,;20.59,-21.53,;19.81,-20.19,;18.27,-20.2,;19.03,-18.86,;17.49,-18.87,;15.95,-18.88,;15.19,-20.22,;15.97,-21.55,;17.51,-21.54,;13.65,-20.23,;12.88,-18.89,;13.64,-17.57,;11.35,-18.91,;10.58,-17.58,;9.05,-17.57,;8.28,-18.91,;9.04,-20.25,;8.28,-21.58,;9.06,-22.91,;10.59,-22.9,;11.35,-21.57,;12.9,-21.56,;13.67,-22.88,;10.58,-20.24,;27.53,-25.5,;29.07,-25.51,;30.61,-25.5,;32.15,-25.5,;32.92,-26.83,;34.46,-26.82,;35.38,-28.05,;36.84,-27.57,;36.83,-26.03,;35.37,-25.56,)|
Structure:
Search PDB for entries with ligand similarity: