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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50513315'   
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))
BDBM50513315
PNG
(CHEMBL4467089)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1
Show InChI InChI=1S/C22H15ClN4O3S2/c23-18-7-8-19(31-18)32(29,30)26-12-5-6-17-15(11-12)22(28)27-10-9-14-13-3-1-2-4-16(13)24-20(14)21(27)25-17/h1-8,11,24,26H,9-10H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured afte...


Eur J Med Chem 177: 198-211 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.055
BindingDB Entry DOI: 10.7270/Q2P84G71
More data for this
Ligand-Target Pair