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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BChE)' and Ligand = 'BDBM227585'   
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))
BDBM227585
PNG
(3-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1cccc(c1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H22FN3O/c23-16-7-5-6-15(14-16)22(27)25-13-12-24-21-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)21/h1,3,5-8,10,14H,2,4,9,11-13H2,(H,24,26)(H,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.76n/an/an/an/a7.425



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.003
BindingDB Entry DOI: 10.7270/Q2RX99ZF
More data for this
Ligand-Target Pair