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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50500693'   
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))
BDBM50500693
PNG
(CHEMBL3753231)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C3CCCC3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C29H30N2O4/c1-34-22-12-13-23-25(17-22)30-24-9-5-6-20(29(23)24)18-31(21-7-3-4-8-21)28(33)15-11-19-10-14-26(32)27(16-19)35-2/h5-6,9-17,21,30,32H,3-4,7-8,18H2,1-2H3/b15-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.82E+4n/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