Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50251047
Substrate
n/a
Meas. Tech.
ChEMBL_529904 (CHEMBL971219)
IC50
177000±n/a nM
Citation
 Huang, J; Orac, CM; McKay, S; McKay, DB; Bergmeier, SC The synthesis of 5-substituted ring E analogs of methyllycaconitine via the Suzuki-Miyaura cross-coupling reaction. Bioorg Med Chem 16:3816-24 (2008) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-7
Synonyms:
ACHA7_BOVIN | CHRNA7
Type:
PROTEIN
Mol. Mass.:
55999.74
Organism:
Bos taurus
Description:
ChEMBL_529904
Residue:
499
Sequence:
MRGSLCLALAASILHVSLQGEFQRKLYKDLVKNYNPLERPVANDSLPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMTWTDHYLQWNASEYPGVKTVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQQCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVGVLGKRSEKFYECCKEPYPDVTFTVSIRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKWTRVVLLNWCAWFLRMKRPGEDKVRPACQHNERRCSLASVEMSAVAGPPATNGNLLYIGFRGLDTMHCAPTPDSGVVCGRVACSPTHDEHLLHAGQPSEGDPDLAKILEEVRYIAHRFRCQDESEAVCSEWKFAACVVDRLCLMAFSVFTILCTIGILMSAPNFVEAVSKDFA
  
Inhibitor
Name:
BDBM50251047
Synonyms:
((R)-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate | CHEMBL458182
Type:
Small organic molecule
Emp. Form.:
C27H32N2O4
Mol. Mass.:
448.554
SMILES:
Cc1cc(O)n(c1O)-c1ccccc1C(=O)OC[C@@H]1CCCN(CCCc2ccccc2)C1 |r,wU:18.19,(12.41,-11.72,;10.96,-12.25,;9.68,-11.39,;8.47,-12.34,;6.99,-11.91,;9,-13.78,;10.53,-13.73,;11.48,-14.95,;8.14,-15.06,;9.47,-15.82,;9.47,-17.37,;8.13,-18.14,;6.8,-17.36,;6.81,-15.82,;5.48,-15.05,;5.48,-13.51,;4.14,-15.81,;2.81,-15.04,;1.48,-15.8,;.15,-15.03,;-1.18,-15.8,;-1.18,-17.34,;.15,-18.11,;.15,-19.65,;1.48,-20.42,;2.81,-19.65,;4.15,-20.42,;4.14,-21.96,;5.47,-22.73,;6.81,-21.96,;6.8,-20.41,;5.47,-19.65,;1.48,-17.34,)|
Structure:
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