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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50317196'   
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))
BDBM50317196
PNG
(2-[2-(beta-Carboline-2-ium-2-yl)ethyl]-beta-carbol...)
Show SMILES C(C[n+]1ccc2c(c1)[nH]c1ccccc21)[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C24H18N4/c1-3-7-21-17(5-1)19-9-11-27(15-23(19)25-21)13-14-28-12-10-20-18-6-2-4-8-22(18)26-24(20)16-28/h1-12,15-16H,13-14H2/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 319n/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