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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50360911'   
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))
BDBM50360911
PNG
(CHEMBL1935146)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccncc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H24ClN3O4S/c1-35-22-9-16-12-27(25(33)18(16)11-23(22)36-2)24(15-5-7-30-8-6-15)21-13-37-14-32(21)28(27)19-10-17(29)3-4-20(19)31-26(28)34/h3-11,21,24H,12-14H2,1-2H3,(H,31,34)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/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