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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50361456'   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50361456
PNG
(CHEMBL1938457)
Show SMILES Clc1ccc2N(NC(=O)CN3CCCCC3)c3ccccc3Sc2c1
Show InChI InChI=1S/C19H20ClN3OS/c20-14-8-9-16-18(12-14)25-17-7-3-2-6-15(17)23(16)21-19(24)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of BuChE in horse serum using butyrylthiocholine as substrate by Ellman method


Eur J Med Chem 46: 2224-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.003
BindingDB Entry DOI: 10.7270/Q2X34XWC
More data for this
Ligand-Target Pair