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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM50122491'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50122491
PNG
((1,2,3,4-Tetrahydro-acridin-9-yl)-[5-(1,2,3,4-tetr...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N3S/c1(10-20-32-30-22-12-2-6-16-26(22)33-27-17-7-3-13-23(27)30)11-21-35-31-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,33)
PDB
MMDB

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Article
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10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Equine Butyrylcholinesterase


J Med Chem 46: 1-4 (2002)


Article DOI: 10.1021/jm0255668
BindingDB Entry DOI: 10.7270/Q2GF0V7X
More data for this
Ligand-Target Pair