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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50324068   
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))
BDBM50324068
PNG
(2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonit...)
Show SMILES Clc1nc(N2CCCCC2)c(cc1C#N)C#N
Show InChI InChI=1S/C12H11ClN4/c13-11-9(7-14)6-10(8-15)12(16-11)17-4-2-1-3-5-17/h6H,1-5H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.50E+3n/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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50324068
PNG
(2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonit...)
Show SMILES Clc1nc(N2CCCCC2)c(cc1C#N)C#N
Show InChI InChI=1S/C12H11ClN4/c13-11-9(7-14)6-10(8-15)12(16-11)17-4-2-1-3-5-17/h6H,1-5H2
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