Reaction Details  Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50353948
Substrate
n/a
Meas. Tech.
ChEMBL_770049 (CHEMBL1832424)
EC50
10000±n/a nM
Citation
 Akdemir, A; Rucktooa, P; Jongejan, A; Elk, R; Bertrand, S; Sixma, TK; Bertrand, D; Smit, AB; Leurs, R; de Graaf, C; de Esch, IJ Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors. Bioorg Med Chem 19:6107-19 (2011) [PubMed]  Article
Target
Name:
Neuronal acetylcholine receptor subunit alpha-7
Synonyms:
ACHA7_HUMAN | CHRNA7 | Cholinergic, Nicotinic Alpha7 | NACHRA7 | Neuronal acetylcholine receptor protein alpha-7 subunit | Neuronal acetylcholine receptor subunit alpha-7 (nAChR-alpha 7) | Nicotinic acetylcholine receptor alpha-7 (alpha7 nAChR)
Type:
n/a
Mol. Mass.:
56448.33
Organism:
Homo sapiens (Human)
Description:
CHRNA7 (NACHRA7)
Residue:
502
Sequence:
MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFYECCKEPYPDVTFTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKWTRVILLNWCAWFLRMKRPGEDKVRPACQHKQRRCSLASVEMSAVAPPPASNGNLLYIGFRGLDGVHCVPTPDSGVVCGRMACSPTHDEHLLHGGQPPEGDPDLAKILEEVRYIANRFRCQDESEAVCSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
  
Inhibitor
Name:
BDBM50353948
Synonyms:
CHEMBL1831043
Type:
Small organic molecule
Emp. Form.:
C20H18ClNS
Mol. Mass.:
339.882
SMILES:
NCC(c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: