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PubMed code 20171894

Compile data set for download or QSAR
Found 49 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


(Homo sapiens (Human))		BDBM50308280
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C36H44N2O2/c1-37(27-30-11-5-2-6-12-30)28-31-15-13-29(14-16-31)25-33-18-17-32-26-34(19-20-35(32)36(33)39)40-24-10-4-9-23-38-21-7-3-8-22-38/h2,5-6,11-16,19-20,25-26H,3-4,7-10,17-18,21-24,27-28H2,1H3/b33-25+
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 61.1n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE-mediated hydrolysis of acetylcholine by Lineweaver-Burk plot analysis

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		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 20n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10949
PNG
(3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3
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n/an/a 44n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308280
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C36H44N2O2/c1-37(27-30-11-5-2-6-12-30)28-31-15-13-29(14-16-31)25-33-18-17-32-26-34(19-20-35(32)36(33)39)40-24-10-4-9-23-38-21-7-3-8-22-38/h2,5-6,11-16,19-20,25-26H,3-4,7-10,17-18,21-24,27-28H2,1H3/b33-25+
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n/an/a 52n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308281
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CCN(CC)CCCCCOc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C35H44N2O2/c1-4-37(5-2)22-10-7-11-23-39-33-20-21-34-31(25-33)18-19-32(35(34)38)24-28-14-16-30(17-15-28)27-36(3)26-29-12-8-6-9-13-29/h6,8-9,12-17,20-21,24-25H,4-5,7,10-11,18-19,22-23,26-27H2,1-3H3/b32-24+
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n/an/a 56n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308262
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-met...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C27H27NO2/c1-28(18-21-6-4-3-5-7-21)19-22-10-8-20(9-11-22)16-24-13-12-23-17-25(30-2)14-15-26(23)27(24)29/h3-11,14-17H,12-13,18-19H2,1-2H3/b24-16+
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n/an/a 110n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308267
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCN4CCCCC4)cc3C2=O)cc1
Show InChI InChI=1S/C34H40N2O2/c1-35(25-28-10-4-2-5-11-28)26-29-14-12-27(13-15-29)22-31-23-30-16-17-32(24-33(30)34(31)37)38-21-9-8-20-36-18-6-3-7-19-36/h2,4-5,10-17,22,24H,3,6-9,18-21,23,25-26H2,1H3/b31-22+
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n/an/a 180n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308282
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6,7-d...)
Show SMILES COc1cc2CC\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H29NO3/c1-29(18-21-7-5-4-6-8-21)19-22-11-9-20(10-12-22)15-24-14-13-23-16-26(31-2)27(32-3)17-25(23)28(24)30/h4-12,15-17H,13-14,18-19H2,1-3H3/b24-15+
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n/an/a 180n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308266
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CCN(CC)CCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C34H42N2O2/c1-4-36(5-2)20-10-7-11-21-38-32-19-18-30-23-31(34(37)33(30)24-32)22-27-14-16-29(17-15-27)26-35(3)25-28-12-8-6-9-13-28/h6,8-9,12-19,22,24H,4-5,7,10-11,20-21,23,25-26H2,1-3H3/b31-22+
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n/an/a 190n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308265
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCCCC4)cc3C2=O)cc1
Show InChI InChI=1S/C35H42N2O2/c1-36(26-29-11-5-2-6-12-29)27-30-15-13-28(14-16-30)23-32-24-31-17-18-33(25-34(31)35(32)38)39-22-10-4-9-21-37-19-7-3-8-20-37/h2,5-6,11-18,23,25H,3-4,7-10,19-22,24,26-27H2,1H3/b32-23+
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n/an/a 200n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308264
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(6-...)
Show SMILES CCN(CC)CCCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C35H44N2O2/c1-4-37(5-2)21-11-6-7-12-22-39-33-20-19-31-24-32(35(38)34(31)25-33)23-28-15-17-30(18-16-28)27-36(3)26-29-13-9-8-10-14-29/h8-10,13-20,23,25H,4-7,11-12,21-22,24,26-27H2,1-3H3/b32-23+
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n/an/a 380n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308263
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(7-...)
Show SMILES CCN(CC)CCCCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C36H46N2O2/c1-4-38(5-2)22-12-7-6-8-13-23-40-34-21-20-32-25-33(36(39)35(32)26-34)24-29-16-18-31(19-17-29)28-37(3)27-30-14-10-9-11-15-30/h9-11,14-21,24,26H,4-8,12-13,22-23,25,27-28H2,1-3H3/b33-24+
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n/an/a 510n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308277
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-met...)
Show SMILES COc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C26H25NO2/c1-27(17-20-6-4-3-5-7-20)18-21-10-8-19(9-11-21)14-23-15-22-12-13-24(29-2)16-25(22)26(23)28/h3-14,16H,15,17-18H2,1-2H3/b23-14+
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n/an/a 630n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308268
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCN4CCOCC4)cc3C2=O)cc1
Show InChI InChI=1S/C33H38N2O3/c1-34(24-27-7-3-2-4-8-27)25-28-11-9-26(10-12-28)21-30-22-29-13-14-31(23-32(29)33(30)36)38-18-6-5-15-35-16-19-37-20-17-35/h2-4,7-14,21,23H,5-6,15-20,22,24-25H2,1H3/b30-21+
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n/an/a 890n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308269
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...)
Show SMILES CCN(CC)CCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C33H40N2O2/c1-4-35(5-2)19-9-10-20-37-31-18-17-29-22-30(33(36)32(29)23-31)21-26-13-15-28(16-14-26)25-34(3)24-27-11-7-6-8-12-27/h6-8,11-18,21,23H,4-5,9-10,19-20,22,24-25H2,1-3H3/b30-21+
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n/an/a 890n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308279
PNG
(CHEMBL598632 | N-(2-chloro-5-(S-2-fluoroethyl)thio...)
Show SMILES COc1cc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27NO3/c1-28(17-20-7-5-4-6-8-20)18-21-11-9-19(10-12-21)13-23-14-22-15-25(30-2)26(31-3)16-24(22)27(23)29/h4-13,15-16H,14,17-18H2,1-3H3/b23-13+
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n/an/a 1.14E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308270
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(3-...)
Show SMILES CCN(CC)CCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C32H38N2O2/c1-4-34(5-2)18-9-19-36-30-17-16-28-21-29(32(35)31(28)22-30)20-25-12-14-27(15-13-25)24-33(3)23-26-10-7-6-8-11-26/h6-8,10-17,20,22H,4-5,9,18-19,21,23-24H2,1-3H3/b29-20+
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308271
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(2-...)
Show SMILES CCN(CC)CCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C31H36N2O2/c1-4-33(5-2)17-18-35-29-16-15-27-20-28(31(34)30(27)21-29)19-24-11-13-26(14-12-24)23-32(3)22-25-9-7-6-8-10-25/h6-16,19,21H,4-5,17-18,20,22-23H2,1-3H3/b28-19+
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n/an/a 1.53E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308273
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-5-(3-...)
Show SMILES CCN(CC)CCCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H38N2O2/c1-4-34(5-2)18-9-19-36-30-16-17-31-28(22-30)21-29(32(31)35)20-25-12-14-27(15-13-25)24-33(3)23-26-10-7-6-8-11-26/h6-8,10-17,20,22H,4-5,9,18-19,21,23-24H2,1-3H3/b29-20+
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n/an/a 1.61E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308266
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CCN(CC)CCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C34H42N2O2/c1-4-36(5-2)20-10-7-11-21-38-32-19-18-30-23-31(34(37)33(30)24-32)22-27-14-16-29(17-15-27)26-35(3)25-28-12-8-6-9-13-28/h6,8-9,12-19,22,24H,4-5,7,10-11,20-21,23,25-26H2,1-3H3/b31-22+
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308274
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-5-(2-...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H36N2O2/c1-4-33(5-2)17-18-35-29-15-16-30-27(21-29)20-28(31(30)34)19-24-11-13-26(14-12-24)23-32(3)22-25-9-7-6-8-10-25/h6-16,19,21H,4-5,17-18,20,22-23H2,1-3H3/b28-19+
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308269
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...)
Show SMILES CCN(CC)CCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C33H40N2O2/c1-4-35(5-2)19-9-10-20-37-31-18-17-29-22-30(33(36)32(29)23-31)21-26-13-15-28(16-14-26)25-34(3)24-27-11-7-6-8-12-27/h6-8,11-18,21,23H,4-5,9-10,19-20,22,24-25H2,1-3H3/b30-21+
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n/an/a 3.52E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308272
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-5-(4-...)
Show SMILES CCN(CC)CCCCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H40N2O2/c1-4-35(5-2)19-9-10-20-37-31-17-18-32-29(23-31)22-30(33(32)36)21-26-13-15-28(16-14-26)25-34(3)24-27-11-7-6-8-12-27/h6-8,11-18,21,23H,4-5,9-10,19-20,22,24-25H2,1-3H3/b30-21+
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n/an/a 3.95E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308276
PNG
(2-{4-[(Benzylethylamino)methyl]benzylidene}-6-meth...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
Show InChI InChI=1S/C27H27NO2/c1-3-28(18-21-7-5-4-6-8-21)19-22-11-9-20(10-12-22)15-24-16-23-13-14-25(30-2)17-26(23)27(24)29/h4-15,17H,3,16,18-19H2,1-2H3/b24-15+
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n/an/a 4.93E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308280
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C36H44N2O2/c1-37(27-30-11-5-2-6-12-30)28-31-15-13-29(14-16-31)25-33-18-17-32-26-34(19-20-35(32)36(33)39)40-24-10-4-9-23-38-21-7-3-8-22-38/h2,5-6,11-16,19-20,25-26H,3-4,7-10,17-18,21-24,27-28H2,1H3/b33-25+
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308283
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-7-met...)
Show SMILES COc1ccc2CC\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C27H27NO2/c1-28(18-21-6-4-3-5-7-21)19-22-10-8-20(9-11-22)16-24-13-12-23-14-15-25(30-2)17-26(23)27(24)29/h3-11,14-17H,12-13,18-19H2,1-2H3/b24-16+
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n/an/a 5.38E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		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 7.42E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308265
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCCCC4)cc3C2=O)cc1
Show InChI InChI=1S/C35H42N2O2/c1-36(26-29-11-5-2-6-12-29)27-30-15-13-28(14-16-30)23-32-24-31-17-18-33(25-34(31)35(32)38)39-22-10-4-9-21-37-19-7-3-8-20-37/h2,5-6,11-18,23,25H,3-4,7-10,19-22,24,26-27H2,1H3/b32-23+
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308277
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-met...)
Show SMILES COc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C26H25NO2/c1-27(17-20-6-4-3-5-7-20)18-21-10-8-19(9-11-21)14-23-15-22-12-13-24(29-2)16-25(22)26(23)28/h3-14,16H,15,17-18H2,1-2H3/b23-14+
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n/an/a 7.93E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308281
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CCN(CC)CCCCCOc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C35H44N2O2/c1-4-37(5-2)22-10-7-11-23-39-33-20-21-34-31(25-33)18-19-32(35(34)38)24-28-14-16-30(17-15-28)27-36(3)26-29-12-8-6-9-13-29/h6,8-9,12-17,20-21,24-25H,4-5,7,10-11,18-19,22-23,26-27H2,1-3H3/b32-24+
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n/an/a 8.05E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308267
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCN4CCCCC4)cc3C2=O)cc1
Show InChI InChI=1S/C34H40N2O2/c1-35(25-28-10-4-2-5-11-28)26-29-14-12-27(13-15-29)22-31-23-30-16-17-32(24-33(30)34(31)37)38-21-9-8-20-36-18-6-3-7-19-36/h2,4-5,10-17,22,24H,3,6-9,18-21,23,25-26H2,1H3/b31-22+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308273
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-5-(3-...)
Show SMILES CCN(CC)CCCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H38N2O2/c1-4-34(5-2)18-9-19-36-30-16-17-31-28(22-30)21-29(32(31)35)20-25-12-14-27(15-13-25)24-33(3)23-26-10-7-6-8-11-26/h6-8,10-17,20,22H,4-5,9,18-19,21,23-24H2,1-3H3/b29-20+
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308275
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}indan-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C25H23NO/c1-26(17-20-7-3-2-4-8-20)18-21-13-11-19(12-14-21)15-23-16-22-9-5-6-10-24(22)25(23)27/h2-15H,16-18H2,1H3/b23-15+
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308270
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(3-...)
Show SMILES CCN(CC)CCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C32H38N2O2/c1-4-34(5-2)18-9-19-36-30-17-16-28-21-29(32(35)31(28)22-30)20-25-12-14-27(15-13-25)24-33(3)23-26-10-7-6-8-11-26/h6-8,10-17,20,22H,4-5,9,18-19,21,23-24H2,1-3H3/b29-20+
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308271
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(2-...)
Show SMILES CCN(CC)CCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C31H36N2O2/c1-4-33(5-2)17-18-35-29-16-15-27-20-28(31(34)30(27)21-29)19-24-11-13-26(14-12-24)23-32(3)22-25-9-7-6-8-10-25/h6-16,19,21H,4-5,17-18,20,22-23H2,1-3H3/b28-19+
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308264
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(6-...)
Show SMILES CCN(CC)CCCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C35H44N2O2/c1-4-37(5-2)21-11-6-7-12-22-39-33-20-19-31-24-32(35(38)34(31)25-33)23-28-15-17-30(18-16-28)27-36(3)26-29-13-9-8-10-14-29/h8-10,13-20,23,25H,4-7,11-12,21-22,24,26-27H2,1-3H3/b32-23+
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n/an/a 2.05E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308278
PNG
(2-Chloro-5-(S-2-fluoroethyl)thioaniline | CHEMBL61...)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H25NO2/c1-27(17-20-6-4-3-5-7-20)18-21-10-8-19(9-11-21)14-23-15-22-16-24(29-2)12-13-25(22)26(23)28/h3-14,16H,15,17-18H2,1-2H3/b23-14+
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n/an/a 2.11E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308274
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-5-(2-...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H36N2O2/c1-4-33(5-2)17-18-35-29-15-16-30-27(21-29)20-28(31(30)34)19-24-11-13-26(14-12-24)23-32(3)22-25-9-7-6-8-10-25/h6-16,19,21H,4-5,17-18,20,22-23H2,1-3H3/b28-19+
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n/an/a 2.25E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308272
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-5-(4-...)
Show SMILES CCN(CC)CCCCOc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H40N2O2/c1-4-35(5-2)19-9-10-20-37-31-17-18-32-29(23-31)22-30(33(32)36)21-26-13-15-28(16-14-26)25-34(3)24-27-11-7-6-8-12-27/h6-8,11-18,21,23H,4-5,9-10,19-20,22,24-25H2,1-3H3/b30-21+
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n/an/a 2.29E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50308278
PNG
(2-Chloro-5-(S-2-fluoroethyl)thioaniline | CHEMBL61...)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H25NO2/c1-27(17-20-6-4-3-5-7-20)18-21-10-8-19(9-11-21)14-23-15-22-16-24(29-2)12-13-25(22)26(23)28/h3-14,16H,15,17-18H2,1-2H3/b23-14+
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n/an/a 2.87E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308275
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}indan-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C25H23NO/c1-26(17-20-7-3-2-4-8-20)18-21-13-11-19(12-14-21)15-23-16-22-9-5-6-10-24(22)25(23)27/h2-15H,16-18H2,1H3/b23-15+
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n/an/a 2.99E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308263
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(7-...)
Show SMILES CCN(CC)CCCCCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C36H46N2O2/c1-4-38(5-2)22-12-7-6-8-13-23-40-34-21-20-32-25-33(36(39)35(32)26-34)24-29-16-18-31(19-17-29)28-37(3)27-30-14-10-9-11-15-30/h9-11,14-21,24,26H,4-8,12-13,22-23,25,27-28H2,1-3H3/b33-24+
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10949
PNG
(3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3
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n/an/a 4.89E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308282
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6,7-d...)
Show SMILES COc1cc2CC\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H29NO3/c1-29(18-21-7-5-4-6-8-21)19-22-11-9-20(10-12-22)15-24-14-13-23-16-26(31-2)27(32-3)17-25(23)28(24)30/h4-12,15-17H,13-14,18-19H2,1-3H3/b24-15+
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n/an/a 7.28E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308262
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-met...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C27H27NO2/c1-28(18-21-6-4-3-5-7-21)19-22-10-8-20(9-11-22)16-24-13-12-23-17-25(30-2)14-15-26(23)27(24)29/h3-11,14-17H,12-13,18-19H2,1-2H3/b24-16+
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n/an/a 9.03E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308276
PNG
(2-{4-[(Benzylethylamino)methyl]benzylidene}-6-meth...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
Show InChI InChI=1S/C27H27NO2/c1-3-28(18-21-7-5-4-6-8-21)19-22-11-9-20(10-12-22)15-24-16-23-13-14-25(30-2)17-26(23)27(24)29/h4-15,17H,3,16,18-19H2,1-2H3/b24-15+
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n/an/a 9.81E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308268
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCN4CCOCC4)cc3C2=O)cc1
Show InChI InChI=1S/C33H38N2O3/c1-34(24-27-7-3-2-4-8-27)25-28-11-9-26(10-12-28)21-30-22-29-13-14-31(23-32(29)33(30)36)38-18-6-5-15-35-16-19-37-20-17-35/h2-4,7-14,21,23H,5-6,15-20,22,24-25H2,1H3/b30-21+
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n/an/a 9.98E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308283
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-7-met...)
Show SMILES COc1ccc2CC\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1
Show InChI InChI=1S/C27H27NO2/c1-28(18-21-6-4-3-5-7-21)19-22-10-8-20(9-11-22)16-24-13-12-23-14-15-25(30-2)17-26(23)27(24)29/h3-11,14-17H,12-13,18-19H2,1-2H3/b24-16+
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50308279
PNG
(CHEMBL598632 | N-(2-chloro-5-(S-2-fluoroethyl)thio...)
Show SMILES COc1cc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27NO3/c1-28(17-20-7-5-4-6-8-20)18-21-11-9-19(10-12-21)13-23-14-22-15-25(30-2)26(31-3)16-24(22)27(23)29/h4-13,15-16H,14,17-18H2,1-3H3/b23-13+
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n/an/a 1.44E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method

Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%