Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50324068
Substrate/Competitorn/a
Meas. Tech.ChEMBL_649485 (CHEMBL1219183)
IC50 9500±n/a nM
Citation Samadi, AMarco-Contelles, JSoriano, EAlvarez-Pérez, MChioua, MRomero, AGonzález-Lafuente, LGandía, LRoda, JMLópez, MGVillarroya, MGarcía, AGRíos, Cde L Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles. Bioorg Med Chem18:5861-72 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
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:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50324068
n/a
NameBDBM50324068
Synonyms:2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile | CHEMBL1215103
TypeSmall organic molecule
Emp. Form.C12H11ClN4
Mol. Mass.246.696
SMILESClc1nc(N2CCCCC2)c(cc1C#N)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: