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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BChE)' and Ligand = 'BDBM50324055'   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50324055
PNG
(2-Amino-6-(4-benzylpiperidin-1'-yl)pyridine-3,5-di...)
Show SMILES Nc1nc(N2CCC(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C19H19N5/c20-12-16-11-17(13-21)19(23-18(16)22)24-8-6-15(7-9-24)10-14-4-2-1-3-5-14/h1-5,11,15H,6-10H2,(H2,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 equine serum BuChE 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