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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50317189'   
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))
BDBM50317189
PNG
(2-[3-(beta-Carboline-2-ium-2-yl)propyl]-beta-carbo...)
Show SMILES C(C[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 652n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair