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PubMed code 26363866

Compile data set for download or QSAR
Found 39 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))		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 14n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM50127334
PNG
(CHEMBL3628065)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccc(OC(=O)N(C)C)cc4)cc3)c2c1
Show InChI InChI=1S/C27H28N4O4.BrH/c1-30(2)27(33)35-22-6-4-19(5-7-22)18-31-14-11-20(12-15-31)26(32)28-13-10-21-17-29-25-9-8-23(34-3)16-24(21)25;/h4-9,11-12,14-17,29H,10,13,18H2,1-3H3;1H
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n/an/a 80n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127381
PNG
(CHEMBL3628067)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-23-6-7-25-24(16-23)21(17-29-25)9-12-28-26(31)8-5-19-10-13-30(14-11-19)18-20-3-2-4-22(27)15-20;/h2-8,10-11,13-17,29H,9,12,18H2,1H3;1H/b8-5+;
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n/an/a 110n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127382
PNG
(CHEMBL3628183)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-23-7-8-25-24(16-23)21(17-29-25)10-13-28-26(31)9-4-19-11-14-30(15-12-19)18-20-2-5-22(27)6-3-20;/h2-9,11-12,14-17,29H,10,13,18H2,1H3;1H/b9-4+;
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n/an/a 210n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127380
PNG
(CHEMBL3628066)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-22-7-8-25-23(16-22)20(17-29-25)10-13-28-26(31)9-6-19-11-14-30(15-12-19)18-21-4-2-3-5-24(21)27;/h2-9,11-12,14-17,29H,10,13,18H2,1H3;1H/b9-6+;
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n/an/a 260n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127274
PNG
(CHEMBL3628053)
Show SMILES [Br-].O=C(NCCc1c[nH]c2ccccc12)c1ccc[n+](Cc2ccccc2)c1
Show InChI InChI=1S/C23H21N3O.BrH/c27-23(24-13-12-19-15-25-22-11-5-4-10-21(19)22)20-9-6-14-26(17-20)16-18-7-2-1-3-8-18;/h1-11,14-15,17,25H,12-13,16H2;1H
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n/an/a 280n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127275
PNG
(CHEMBL3628054)
Show SMILES [Br-].Fc1ccccc1C[n+]1cccc(c1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20FN3O.BrH/c24-21-9-3-1-6-18(21)15-27-13-5-7-19(16-27)23(28)25-12-11-17-14-26-22-10-4-2-8-20(17)22;/h1-10,13-14,16,26H,11-12,15H2;1H
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n/an/a 340n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127393
PNG
(CHEMBL3628185)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-23-6-7-25-24(16-23)21(17-29-25)9-12-28-26(31)8-5-19-10-13-30(14-11-19)18-20-3-2-4-22(27)15-20;/h2-4,6-7,10-11,13-17,29H,5,8-9,12,18H2,1H3;1H
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n/an/a 440n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127389
PNG
(CHEMBL3628184)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-22-7-8-25-23(16-22)20(17-29-25)10-13-28-26(31)9-6-19-11-14-30(15-12-19)18-21-4-2-3-5-24(21)27;/h2-5,7-8,11-12,14-17,29H,6,9-10,13,18H2,1H3;1H
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n/an/a 530n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127399
PNG
(CHEMBL3628186)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-23-7-8-25-24(16-23)21(17-29-25)10-13-28-26(31)9-4-19-11-14-30(15-12-19)18-20-2-5-22(27)6-3-20;/h2-3,5-8,11-12,14-17,29H,4,9-10,13,18H2,1H3;1H
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n/an/a 580n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127399
PNG
(CHEMBL3628186)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-23-7-8-25-24(16-23)21(17-29-25)10-13-28-26(31)9-4-19-11-14-30(15-12-19)18-20-2-5-22(27)6-3-20;/h2-3,5-8,11-12,14-17,29H,4,9-10,13,18H2,1H3;1H
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n/an/a 650n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127382
PNG
(CHEMBL3628183)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-23-7-8-25-24(16-23)21(17-29-25)10-13-28-26(31)9-4-19-11-14-30(15-12-19)18-20-2-5-22(27)6-3-20;/h2-9,11-12,14-17,29H,10,13,18H2,1H3;1H/b9-4+;
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n/an/a 710n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127393
PNG
(CHEMBL3628185)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-23-6-7-25-24(16-23)21(17-29-25)9-12-28-26(31)8-5-19-10-13-30(14-11-19)18-20-3-2-4-22(27)15-20;/h2-4,6-7,10-11,13-17,29H,5,8-9,12,18H2,1H3;1H
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n/an/a 720n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127389
PNG
(CHEMBL3628184)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-22-7-8-25-23(16-22)20(17-29-25)10-13-28-26(31)9-6-19-11-14-30(15-12-19)18-21-4-2-3-5-24(21)27;/h2-5,7-8,11-12,14-17,29H,6,9-10,13,18H2,1H3;1H
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n/an/a 860n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127381
PNG
(CHEMBL3628067)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-23-6-7-25-24(16-23)21(17-29-25)9-12-28-26(31)8-5-19-10-13-30(14-11-19)18-20-3-2-4-22(27)15-20;/h2-8,10-11,13-17,29H,9,12,18H2,1H3;1H/b8-5+;
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n/an/a 1.10E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127334
PNG
(CHEMBL3628065)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccc(OC(=O)N(C)C)cc4)cc3)c2c1
Show InChI InChI=1S/C27H28N4O4.BrH/c1-30(2)27(33)35-22-6-4-19(5-7-22)18-31-14-11-20(12-15-31)26(32)28-13-10-21-17-29-25-9-8-23(34-3)16-24(21)25;/h4-9,11-12,14-17,29H,10,13,18H2,1-3H3;1H
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n/an/a 1.30E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127380
PNG
(CHEMBL3628066)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-22-7-8-25-23(16-22)20(17-29-25)10-13-28-26(31)9-6-19-11-14-30(15-12-19)18-21-4-2-3-5-24(21)27;/h2-9,11-12,14-17,29H,10,13,18H2,1H3;1H/b9-6+;
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n/an/a 2.30E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127290
PNG
(CHEMBL3628059)
Show SMILES [Br-].Cc1cccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N3O.BrH/c1-18-5-4-6-19(15-18)17-27-13-10-20(11-14-27)24(28)25-12-9-21-16-26-23-8-3-2-7-22(21)23;/h2-8,10-11,13-16,26H,9,12,17H2,1H3;1H
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n/an/a 2.70E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127276
PNG
(CHEMBL3628055)
Show SMILES [Br-].O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C23H21N3O.BrH/c27-23(24-13-10-20-16-25-22-9-5-4-8-21(20)22)19-11-14-26(15-12-19)17-18-6-2-1-3-7-18;/h1-9,11-12,14-16,25H,10,13,17H2;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127277
PNG
(CHEMBL3628056)
Show SMILES [Br-].Fc1ccccc1C[n+]1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20FN3O.BrH/c24-21-7-3-1-5-19(21)16-27-13-10-17(11-14-27)23(28)25-12-9-18-15-26-22-8-4-2-6-20(18)22;/h1-8,10-11,13-15,26H,9,12,16H2;1H
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n/an/a 3.20E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127293
PNG
(CHEMBL3628062)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C24H22FN3O2.BrH/c1-30-20-6-7-23-21(14-20)18(15-27-23)8-11-26-24(29)17-9-12-28(13-10-17)16-19-4-2-3-5-22(19)25;/h2-7,9-10,12-15,27H,8,11,16H2,1H3;1H
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n/an/a 3.30E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127289
PNG
(CHEMBL3628058)
Show SMILES [Br-].Fc1ccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C23H20FN3O.BrH/c24-20-7-5-17(6-8-20)16-27-13-10-18(11-14-27)23(28)25-12-9-19-15-26-22-4-2-1-3-21(19)22;/h1-8,10-11,13-15,26H,9,12,16H2;1H
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n/an/a 3.40E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127294
PNG
(CHEMBL3628063)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C24H22FN3O2.BrH/c1-30-21-5-6-23-22(14-21)19(15-27-23)7-10-26-24(29)18-8-11-28(12-9-18)16-17-3-2-4-20(25)13-17;/h2-6,8-9,11-15,27H,7,10,16H2,1H3;1H
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n/an/a 3.80E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127288
PNG
(CHEMBL3628057)
Show SMILES [Br-].Fc1cccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C23H20FN3O.BrH/c24-20-5-3-4-17(14-20)16-27-12-9-18(10-13-27)23(28)25-11-8-19-15-26-22-7-2-1-6-21(19)22;/h1-7,9-10,12-15,26H,8,11,16H2;1H
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n/an/a 3.90E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127277
PNG
(CHEMBL3628056)
Show SMILES [Br-].Fc1ccccc1C[n+]1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20FN3O.BrH/c24-21-7-3-1-5-19(21)16-27-13-10-17(11-14-27)23(28)25-12-9-18-15-26-22-8-4-2-6-20(18)22;/h1-8,10-11,13-15,26H,9,12,16H2;1H
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n/an/a 4.10E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127276
PNG
(CHEMBL3628055)
Show SMILES [Br-].O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C23H21N3O.BrH/c27-23(24-13-10-20-16-25-22-9-5-4-8-21(20)22)19-11-14-26(15-12-19)17-18-6-2-1-3-7-18;/h1-9,11-12,14-16,25H,10,13,17H2;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127289
PNG
(CHEMBL3628058)
Show SMILES [Br-].Fc1ccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C23H20FN3O.BrH/c24-20-7-5-17(6-8-20)16-27-13-10-18(11-14-27)23(28)25-12-9-19-15-26-22-4-2-1-3-21(19)22;/h1-8,10-11,13-15,26H,9,12,16H2;1H
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n/an/a 4.80E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127295
PNG
(CHEMBL3628064)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C24H22FN3O2.BrH/c1-30-21-6-7-23-22(14-21)19(15-27-23)8-11-26-24(29)18-9-12-28(13-10-18)16-17-2-4-20(25)5-3-17;/h2-7,9-10,12-15,27H,8,11,16H2,1H3;1H
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n/an/a 5.10E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127288
PNG
(CHEMBL3628057)
Show SMILES [Br-].Fc1cccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C23H20FN3O.BrH/c24-20-5-3-4-17(14-20)16-27-12-9-18(10-13-27)23(28)25-11-8-19-15-26-22-7-2-1-6-21(19)22;/h1-7,9-10,12-15,26H,8,11,16H2;1H
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n/an/a 5.10E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
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 5.60E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127291
PNG
(CHEMBL3628060)
Show SMILES [Br-].Cc1ccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C24H23N3O.BrH/c1-18-6-8-19(9-7-18)17-27-14-11-20(12-15-27)24(28)25-13-10-21-16-26-23-5-3-2-4-22(21)23;/h2-9,11-12,14-16,26H,10,13,17H2,1H3;1H
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n/an/a 5.70E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127290
PNG
(CHEMBL3628059)
Show SMILES [Br-].Cc1cccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N3O.BrH/c1-18-5-4-6-19(15-18)17-27-13-10-20(11-14-27)24(28)25-12-9-21-16-26-23-8-3-2-7-22(21)23;/h2-8,10-11,13-16,26H,9,12,17H2,1H3;1H
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n/an/a 5.80E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127293
PNG
(CHEMBL3628062)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C24H22FN3O2.BrH/c1-30-20-6-7-23-21(14-20)18(15-27-23)8-11-26-24(29)17-9-12-28(13-10-17)16-19-4-2-3-5-22(19)25;/h2-7,9-10,12-15,27H,8,11,16H2,1H3;1H
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n/an/a 6.80E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127295
PNG
(CHEMBL3628064)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C24H22FN3O2.BrH/c1-30-21-6-7-23-22(14-21)19(15-27-23)8-11-26-24(29)18-9-12-28(13-10-18)16-17-2-4-20(25)5-3-17;/h2-7,9-10,12-15,27H,8,11,16H2,1H3;1H
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n/an/a 7.50E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127294
PNG
(CHEMBL3628063)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C24H22FN3O2.BrH/c1-30-21-5-6-23-22(14-21)19(15-27-23)7-10-26-24(29)18-8-11-28(12-9-18)16-17-3-2-4-20(25)13-17;/h2-6,8-9,11-15,27H,7,10,16H2,1H3;1H
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n/an/a 7.90E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127291
PNG
(CHEMBL3628060)
Show SMILES [Br-].Cc1ccc(C[n+]2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C24H23N3O.BrH/c1-18-6-8-19(9-7-18)17-27-14-11-20(12-15-27)24(28)25-13-10-21-16-26-23-5-3-2-4-22(21)23;/h2-9,11-12,14-16,26H,10,13,17H2,1H3;1H
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n/an/a 8.90E+3n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127292
PNG
(CHEMBL3628061)
Show SMILES [Br-].O=C(NCCc1c[nH]c2ccccc12)c1cc[n+](Cc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C24H20N4O.BrH/c25-15-18-5-7-19(8-6-18)17-28-13-10-20(11-14-28)24(29)26-12-9-21-16-27-23-4-2-1-3-22(21)23;/h1-8,10-11,13-14,16,27H,9,12,17H2;1H
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n/an/a 2.29E+4n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127275
PNG
(CHEMBL3628054)
Show SMILES [Br-].Fc1ccccc1C[n+]1cccc(c1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20FN3O.BrH/c24-21-9-3-1-6-18(21)15-27-13-5-7-19(16-27)23(28)25-12-11-17-14-26-22-10-4-2-8-20(17)22;/h1-10,13-14,16,26H,11-12,15H2;1H
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n/an/a 2.86E+4n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127274
PNG
(CHEMBL3628053)
Show SMILES [Br-].O=C(NCCc1c[nH]c2ccccc12)c1ccc[n+](Cc2ccccc2)c1
Show InChI InChI=1S/C23H21N3O.BrH/c27-23(24-13-12-19-15-25-22-11-5-4-10-21(19)22)20-9-6-14-26(17-20)16-18-7-2-1-3-8-18;/h1-11,14-15,17,25H,12-13,16H2;1H
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n/an/a 3.05E+4n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%