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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BChE)' and Ligand = 'BDBM10522'   
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 (BChE)


(Equus caballus (Horse))
BDBM10522
PNG
(N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-29-17-9-6-14-25(29)33(31)39-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)37-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80 -40.5n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair