Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50232641
Substrate
n/a
Meas. Tech.
ChEMBL_1648345 (CHEMBL3997401)
IC50
8000±n/a nM
Citation
 Park, B; Nam, JH; Kim, JH; Kim, HJ; Onnis, V; Balboni, G; Lee, KT; Park, JH; Catto, M; Carotti, A; Lee, JY 3,4-Dihydroquinazoline derivatives inhibit the activities of cholinesterase enzymes. Bioorg Med Chem Lett 27:1179-1185 (2017) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ACES_ELEEL | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electric eel
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50232641
Synonyms:
CHEMBL4065933
Type:
Small organic molecule
Emp. Form.:
C39H49FN6O
Mol. Mass.:
636.40
SMILES:
Fc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN3CCCC3)CC2)c2ccc(cc2)C2CCCCC2)cc1 |c:12|
Structure:
Search PDB for entries with ligand similarity: