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2 similar compounds to monomer 50280646

Compile data set for download or QSAR
Wt: 377.4
BDBM50029927
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Wt: 391.5
BDBM50280644

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029927,50280644   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029927
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(Z)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C\C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12-
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50280644
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-eth-(E)-ylidene]-5,...)
Show SMILES COc1cc2CC(=CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H29NO3/c1-28-23-15-21-14-20(25(27)22(21)16-24(23)29-2)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,9,15-16,18H,8,10-14,17H2,1-2H3
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Reactome pathway
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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity in mouse brain homogenate


Bioorg Med Chem Lett 2: 871-876 (1992)


Article DOI: 10.1016/S0960-894X(00)80547-8
BindingDB Entry DOI: 10.7270/Q21R6QDV
More data for this
Ligand-Target Pair