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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50189888'   
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


(Homo sapiens (Human))
BDBM50189888
PNG
(CHEMBL3827449)
Show SMILES [Br-].CCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1
Show InChI InChI=1S/C16H25N2O4.BrH/c1-6-7-14-20-9-12-8-18(5)11(2)15(13(12)10-21-14)22-16(19)17(3)4;/h8,14H,6-7,9-10H2,1-5H3;1H/q+1;/p-1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



Kazan (Volga region) Federal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...


Bioorg Med Chem Lett 26: 4092-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.070
BindingDB Entry DOI: 10.7270/Q2BR8V31
More data for this
Ligand-Target Pair