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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 222338   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM222338
PNG
((E)-5-(3-hydroxy-4-((4-methylpiperazin-1-yl)methyl...)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3cnc(C)c(O)c3CO)cc2O)CC1
Show InChI InChI=1S/C21H27N3O3/c1-15-21(27)19(14-25)17(12-22-15)5-3-16-4-6-18(20(26)11-16)13-24-9-7-23(2)8-10-24/h3-6,11-12,25-27H,7-10,13-14H2,1-2H3/b5-3+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a



Sichuan University



Assay Description
For AChE or BuChE inhibition assays, a reaction mixture (100 mL) containing acetylthiocholine iodide (1 mmol/L, 30 mL) or butyrylthiocholine iodide (...


Bioorg Chem 71: 305-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.016
BindingDB Entry DOI: 10.7270/Q2X9295T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM222338
PNG
((E)-5-(3-hydroxy-4-((4-methylpiperazin-1-yl)methyl...)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3cnc(C)c(O)c3CO)cc2O)CC1
Show InChI InChI=1S/C21H27N3O3/c1-15-21(27)19(14-25)17(12-22-15)5-3-16-4-6-18(20(26)11-16)13-24-9-7-23(2)8-10-24/h3-6,11-12,25-27H,7-10,13-14H2,1-2H3/b5-3+
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.77E+4n/an/an/an/a7.4n/a



Sichuan University



Assay Description
Recombinant human MAO-A and MAO-B (5 mg/mL) were purchased from Sigma-Aldrich, pre-aliquoted and stored at -80 °C. Solutions of test compounds we...


Bioorg Chem 71: 305-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.016
BindingDB Entry DOI: 10.7270/Q2X9295T
More data for this
Ligand-Target Pair