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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50324059'   
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))
BDBM50324059
PNG
(2-Amino-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)-4-phe...)
Show SMILES Nc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |THB:3:4:6.7:10.9|
Show InChI InChI=1S/C19H17N5/c20-10-15-17(12-4-2-1-3-5-12)16(11-21)19(23-18(15)22)24-13-6-7-14(24)9-8-13/h1-5,13-14H,6-9H2,(H2,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method


Bioorg Med Chem 18: 5861-72 (2010)


Article DOI: 10.1016/j.bmc.2010.06.095
BindingDB Entry DOI: 10.7270/Q23J3D5D
More data for this
Ligand-Target Pair