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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50343331'   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50343331
PNG
(CHEMBL1773480 | N-(4-{4-[(Benzylmethylamino)methyl...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)C(=O)c1ccc(NC(=O)CN2CCOCC2)cc1
Show InChI InChI=1S/C28H31N3O3/c1-30(19-22-5-3-2-4-6-22)20-23-7-9-24(10-8-23)28(33)25-11-13-26(14-12-25)29-27(32)21-31-15-17-34-18-16-31/h2-14H,15-21H2,1H3,(H,29,32)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.79E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BChE using butyrylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 46: 1682-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.019
BindingDB Entry DOI: 10.7270/Q2X92BM2
More data for this
Ligand-Target Pair