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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50523576'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523576
PNG
(CHEMBL4459290)
Show SMILES Cc1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(C)c3)C2=O)c1 |c:37,t:30|
Show InChI InChI=1S/C46H41N5O/c1-28-11-9-13-30(21-28)23-33-25-47-27-45(44(33)52)41(31-14-10-12-29(2)22-31)40(24-32-26-48-37-18-6-4-15-34(32)37)51-46(45)36-17-5-3-16-35(36)42-43(46)50-39-20-8-7-19-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.84E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair