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2 similar compounds to monomer 50029927

Compile data set for download or QSAR
Wt: 391.5
BDBM50280644
Wt: 377.4
BDBM50280646
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50280644,50280646   
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


(Homo sapiens (Human))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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PubMed
35n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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2.44E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Mixed inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Mus musculus (Mouse))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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n/an/a<1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Inhibition of mouse BACE-1 preincubated for 10 mins followed by fluorescent peptide substrate addition measured for 30 mins by fluorescence plate rea...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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n/an/a 420n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Eur J Med Chem 127: 671-690 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.036
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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n/an/a 4.74E+3n/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Ellman method


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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n/an/a 13n/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
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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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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-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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PubMed
n/an/a 58n/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman method


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair