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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline Acetyltransferase' and Ligand = 'BDBM8960'   
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
Choline Acetyltransferase


(RAT)
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
PDB
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Patents


Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair