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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BChE)' and Ligand = 'BDBM10523'   
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))
BDBM10523
PNG
(6,8-dichloro-N-[7-(1,2,3,4-tetrahydroacridin-9-yls...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-27-15-7-4-12-23(27)32(31)36-18-10-2-1-3-11-19-39-33-24-13-5-8-16-28(24)37-29-17-9-6-14-25(29)33/h5,8,13,16,20-21H,1-4,6-7,9-12,14-15,17-19H2,(H,36,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
250 -37.7n/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