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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50360915'   
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))
BDBM50360915
PNG
(CHEMBL1935150)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H25ClN2O4S/c1-35-23-10-17-13-28(26(33)19(17)12-24(23)36-2)25(16-6-4-3-5-7-16)22-14-37-15-32(22)29(28)20-11-18(30)8-9-21(20)31-27(29)34/h3-12,22,25H,13-15H2,1-2H3,(H,31,34)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method


Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair