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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50114362'   
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 (BuChE)


(Equus caballus (Horse))
BDBM50114362
PNG
(CHEMBL3604193)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 73n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair