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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50322766'   
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))
BDBM50322766
PNG
(7-{[9-(1,2,3,4-Tetrahydroacridin-9-ylamino)nonylam...)
Show SMILES Oc1c(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12
Show InChI InChI=1S/C32H40N4O/c37-32-25(19-18-24-13-12-22-34-30(24)32)23-33-20-10-4-2-1-3-5-11-21-35-31-26-14-6-8-16-28(26)36-29-17-9-7-15-27(29)31/h6,8,12-14,16,18-19,22,33,37H,1-5,7,9-11,15,17,20-21,23H2,(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair