Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50558120
Substrate
n/a
Meas. Tech.
ChEMBL_2061892 (CHEMBL4717145)
IC50
528±n/a nM
Citation
 Maqbool, M; Manral, A; Jameel, E; Kumar, J; Saini, V; Shandilya, A; Tiwari, M; Hoda, N; Jayaram, B Development of cyanopyridine-triazine hybrids as lead multitarget anti-Alzheimer agents. Bioorg Med Chem 24:2777-88 (2016) [PubMed]  Article
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50558120
Synonyms:
CHEMBL4793687
Type:
Small organic molecule
Emp. Form.:
C23H22F3N9
Mol. Mass.:
481.4763
SMILES:
FC(F)(F)c1cccc(Nc2nc(NC3CC3)nc(n2)N2CCN(CC2)c2ncccc2C#N)c1
Structure:
Search PDB for entries with ligand similarity: