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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50500697'   
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))
BDBM50500697
PNG
(CHEMBL3752521)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C3CCCCC3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C30H32N2O4/c1-35-23-13-14-24-26(18-23)31-25-10-6-7-21(30(24)25)19-32(22-8-4-3-5-9-22)29(34)16-12-20-11-15-27(33)28(17-20)36-2/h6-7,10-18,22,31,33H,3-5,8-9,19H2,1-2H3/b16-12+
UniProtKB/SwissProt

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



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay


Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair