Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM189372
Substrate
n/a
Meas. Tech.
AChE Inhibitory Assay
pH
7.7±n/a
IC50
300±25.38 nM
Comments
extracted
Citation
 Shaik, JB; Palaka, BK; Penumala, M; Eadlapalli, S; Darla Mark, M; Ampasala, DR; Vadde, R; Amooru Gangaiah, D Synthesis, Biological Evaluation, and Molecular Docking of 8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene Analogs: New Dual AChE Inhibitors as Potential Drugs for the Treatment of Alzheimer's Disease. Chem Biol Drug Des 88:43-53 (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:
BDBM189372
Synonyms:
N-(2,4-dimethoxybenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene-9-carboxamide (4k)
Type:
Small organic molecule
Emp. Form.:
C22H18N2O6
Mol. Mass.:
406.3881
SMILES:
COc1ccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c(OC)c1
Structure:
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