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PubMed code 27353888

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183044
PNG
(CHEMBL3818053)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ncccn2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C24H20N4O2/c29-22-19-4-1-2-5-20(19)23(30)21(22)16-17-6-8-18(9-7-17)27-12-14-28(15-13-27)24-25-10-3-11-26-24/h1-11,16H,12-15H2
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n/an/a 36n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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
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n/an/a 39n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183042
PNG
(CHEMBL3818600)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccco1
Show InChI InChI=1S/C25H20N2O4/c28-23-19-4-1-2-5-20(19)24(29)21(23)16-17-7-9-18(10-8-17)26-11-13-27(14-12-26)25(30)22-6-3-15-31-22/h1-10,15-16H,11-14H2
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n/an/a 48n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183043
PNG
(CHEMBL3819454)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-c2ccccc2)-c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C33H28N2O2/c36-32-28-13-7-8-14-29(28)33(37)30(32)23-24-15-17-27(18-16-24)34-19-21-35(22-20-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-18,23,31H,19-22H2
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n/an/a 61n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183046
PNG
(CHEMBL3817925)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ccccn2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C25H21N3O2/c29-24-20-5-1-2-6-21(20)25(30)22(24)17-18-8-10-19(11-9-18)27-13-15-28(16-14-27)23-7-3-4-12-26-23/h1-12,17H,13-16H2
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n/an/a 112n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183047
PNG
(CHEMBL3819248)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-c3ccc4-[#8]-[#6]-[#8]-c4c3)-[#6]-[#6]-2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C28H24N2O4/c31-27-22-3-1-2-4-23(22)28(32)24(27)15-19-5-8-21(9-6-19)30-13-11-29(12-14-30)17-20-7-10-25-26(16-20)34-18-33-25/h1-10,15-16H,11-14,17-18H2
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n/an/a 131n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183052
PNG
(CHEMBL3819316)
Show SMILES FC(F)(F)c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C27H21F3N2O2/c28-27(29,30)19-7-11-21(12-8-19)32-15-13-31(14-16-32)20-9-5-18(6-10-20)17-24-25(33)22-3-1-2-4-23(22)26(24)34/h1-12,17H,13-16H2
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n/an/a 141n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183053
PNG
(CHEMBL3819571)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C26H21FN2O2/c27-19-7-11-21(12-8-19)29-15-13-28(14-16-29)20-9-5-18(6-10-20)17-24-25(30)22-3-1-2-4-23(22)26(24)31/h1-12,17H,13-16H2
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n/an/a 173n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183051
PNG
(CHEMBL3819042)
Show SMILES Clc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C26H21ClN2O2/c27-19-7-11-21(12-8-19)29-15-13-28(14-16-29)20-9-5-18(6-10-20)17-24-25(30)22-3-1-2-4-23(22)26(24)31/h1-12,17H,13-16H2
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n/an/a 231n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183050
PNG
(CHEMBL3818518)
Show SMILES [#6]-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C27H24N2O2/c1-19-6-10-21(11-7-19)28-14-16-29(17-15-28)22-12-8-20(9-13-22)18-25-26(30)23-4-2-3-5-24(23)27(25)31/h2-13,18H,14-17H2,1H3
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n/an/a 251n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183049
PNG
(CHEMBL3819593)
Show SMILES [#6]-c1ccc(-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ccc(\[#6]=[#6]-3\[#6](=O)-c4ccccc4-[#6]-3=O)cc2)c(-[#6])c1
Show InChI InChI=1S/C28H26N2O2/c1-19-7-12-26(20(2)17-19)30-15-13-29(14-16-30)22-10-8-21(9-11-22)18-25-27(31)23-5-3-4-6-24(23)28(25)32/h3-12,17-18H,13-16H2,1-2H3
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n/an/a 298n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183050
PNG
(CHEMBL3818518)
Show SMILES [#6]-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C27H24N2O2/c1-19-6-10-21(11-7-19)28-14-16-29(17-15-28)22-12-8-20(9-13-22)18-25-26(30)23-4-2-3-5-24(23)27(25)31/h2-13,18H,14-17H2,1H3
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n/an/a 392n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183049
PNG
(CHEMBL3819593)
Show SMILES [#6]-c1ccc(-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ccc(\[#6]=[#6]-3\[#6](=O)-c4ccccc4-[#6]-3=O)cc2)c(-[#6])c1
Show InChI InChI=1S/C28H26N2O2/c1-19-7-12-26(20(2)17-19)30-15-13-29(14-16-30)22-10-8-21(9-11-22)18-25-27(31)23-5-3-4-6-24(23)28(25)32/h3-12,17-18H,13-16H2,1-2H3
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n/an/a 415n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183046
PNG
(CHEMBL3817925)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ccccn2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C25H21N3O2/c29-24-20-5-1-2-6-21(20)25(30)22(24)17-18-8-10-19(11-9-18)27-13-15-28(16-14-27)23-7-3-4-12-26-23/h1-12,17H,13-16H2
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n/an/a 880n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183051
PNG
(CHEMBL3819042)
Show SMILES Clc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C26H21ClN2O2/c27-19-7-11-21(12-8-19)29-15-13-28(14-16-29)20-9-5-18(6-10-20)17-24-25(30)22-3-1-2-4-23(22)26(24)31/h1-12,17H,13-16H2
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183052
PNG
(CHEMBL3819316)
Show SMILES FC(F)(F)c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C27H21F3N2O2/c28-27(29,30)19-7-11-21(12-8-19)32-15-13-31(14-16-32)20-9-5-18(6-10-20)17-24-25(33)22-3-1-2-4-23(22)26(24)34/h1-12,17H,13-16H2
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183054
PNG
(CHEMBL3818978)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C26H22N2O2/c29-25-22-8-4-5-9-23(22)26(30)24(25)18-19-10-12-21(13-11-19)28-16-14-27(15-17-28)20-6-2-1-3-7-20/h1-13,18H,14-17H2
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n/an/a 2.44E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183042
PNG
(CHEMBL3818600)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccco1
Show InChI InChI=1S/C25H20N2O4/c28-23-19-4-1-2-5-20(19)24(29)21(23)16-17-7-9-18(10-8-17)26-11-13-27(14-12-26)25(30)22-6-3-15-31-22/h1-10,15-16H,11-14H2
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n/an/a 2.61E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183044
PNG
(CHEMBL3818053)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ncccn2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C24H20N4O2/c29-22-19-4-1-2-5-20(19)23(30)21(22)16-17-6-8-18(9-7-17)27-12-14-28(15-13-27)24-25-10-3-11-26-24/h1-11,16H,12-15H2
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PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183043
PNG
(CHEMBL3819454)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-c2ccccc2)-c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C33H28N2O2/c36-32-28-13-7-8-14-29(28)33(37)30(32)23-24-15-17-27(18-16-24)34-19-21-35(22-20-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-18,23,31H,19-22H2
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n/an/a 3.35E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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
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n/an/a 3.36E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183047
PNG
(CHEMBL3819248)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-c3ccc4-[#8]-[#6]-[#8]-c4c3)-[#6]-[#6]-2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C28H24N2O4/c31-27-22-3-1-2-4-23(22)28(32)24(27)15-19-5-8-21(9-6-19)30-13-11-29(12-14-30)17-20-7-10-25-26(16-20)34-18-33-25/h1-10,15-16H,11-14,17-18H2
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n/an/a 4.25E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183054
PNG
(CHEMBL3818978)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C26H22N2O2/c29-25-22-8-4-5-9-23(22)26(30)24(25)18-19-10-12-21(13-11-19)28-16-14-27(15-17-28)20-6-2-1-3-7-20/h1-13,18H,14-17H2
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n/an/a 4.66E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183053
PNG
(CHEMBL3819571)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C26H21FN2O2/c27-19-7-11-21(12-8-19)29-15-13-28(14-16-29)20-9-5-18(6-10-20)17-24-25(30)22-3-1-2-4-23(22)26(24)31/h1-12,17H,13-16H2
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n/an/a 5.13E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50183042
PNG
(CHEMBL3818600)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccco1
Show InChI InChI=1S/C25H20N2O4/c28-23-19-4-1-2-5-20(19)24(29)21(23)16-17-7-9-18(10-8-17)26-11-13-27(14-12-26)25(30)22-6-3-15-31-22/h1-10,15-16H,11-14H2
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescenc...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50183044
PNG
(CHEMBL3818053)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ncccn2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C24H20N4O2/c29-22-19-4-1-2-5-20(19)23(30)21(22)16-17-6-8-18(9-7-17)27-12-14-28(15-13-27)24-25-10-3-11-26-24/h1-11,16H,12-15H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescenc...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50183043
PNG
(CHEMBL3819454)
Show SMILES O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-c2ccccc2)-c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C33H28N2O2/c36-32-28-13-7-8-14-29(28)33(37)30(32)23-24-15-17-27(18-16-24)34-19-21-35(22-20-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-18,23,31H,19-22H2
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescenc...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50183048
PNG
(CHEMBL3818091)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c30-25-22-8-4-5-9-23(22)26(31)24(25)18-19-10-12-21(13-11-19)28-14-16-29(17-15-28)27(32)20-6-2-1-3-7-20/h1-13,18H,14-17H2
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n/an/a 1.34E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50183048
PNG
(CHEMBL3818091)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c30-25-22-8-4-5-9-23(22)26(31)24(25)18-19-10-12-21(13-11-19)28-14-16-29(17-15-28)27(32)20-6-2-1-3-7-20/h1-13,18H,14-17H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.18E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescenc...

Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%