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PubMed code 26783181

Compile data set for download or QSAR
Found 24 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
Cholinesterase


(Equus caballus (Horse))		BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139069
PNG
(CHEMBL3751854)
Show SMILES COc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-17(21)20-18-19-16(12-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139070
PNG
(CHEMBL3754142)
Show SMILES COc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H16N2O2S/c1-22-16-10-6-5-9-14(16)11-17(21)20-18-19-15(12-23-18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 5.23E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139067
PNG
(CHEMBL3751888)
Show SMILES Cc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H16N2OS/c1-13-7-9-14(10-8-13)11-17(21)20-18-19-16(12-22-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 6.18E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139071
PNG
(CHEMBL3754705)
Show SMILES [O-][N+](=O)c1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13N3O3S/c21-16(10-12-6-8-14(9-7-12)20(22)23)19-17-18-15(11-24-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19,21)
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n/an/a 6.32E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139068
PNG
(CHEMBL3753797)
Show SMILES Cc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H16N2OS/c1-13-7-5-6-10-15(13)11-17(21)20-18-19-16(12-22-18)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 7.71E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139068
PNG
(CHEMBL3753797)
Show SMILES Cc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H16N2OS/c1-13-7-5-6-10-15(13)11-17(21)20-18-19-16(12-22-18)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 8.11E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139071
PNG
(CHEMBL3754705)
Show SMILES [O-][N+](=O)c1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13N3O3S/c21-16(10-12-6-8-14(9-7-12)20(22)23)19-17-18-15(11-24-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19,21)
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n/an/a 8.21E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139072
PNG
(CHEMBL3753707)
Show SMILES [O-][N+](=O)c1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O3S/c21-16(10-13-8-4-5-9-15(13)20(22)23)19-17-18-14(11-24-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19,21)
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n/an/a 8.25E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139069
PNG
(CHEMBL3751854)
Show SMILES COc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-17(21)20-18-19-16(12-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 9.24E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139067
PNG
(CHEMBL3751888)
Show SMILES Cc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H16N2OS/c1-13-7-9-14(10-8-13)11-17(21)20-18-19-16(12-22-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 9.43E+3n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50139069
PNG
(CHEMBL3751854)
Show SMILES COc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-17(21)20-18-19-16(12-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139070
PNG
(CHEMBL3754142)
Show SMILES COc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H16N2O2S/c1-22-16-10-6-5-9-14(16)11-17(21)20-18-19-15(12-23-18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20,21)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139072
PNG
(CHEMBL3753707)
Show SMILES [O-][N+](=O)c1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O3S/c21-16(10-13-8-4-5-9-15(13)20(22)23)19-17-18-14(11-24-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19,21)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
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 1.13E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50140171
PNG
(CHEMBL2403496)
Show SMILES Clc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50141094
PNG
(CHEMBL3752765)
Show SMILES Clc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-9-5-4-8-13(14)10-16(21)20-17-19-15(11-22-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50140171
PNG
(CHEMBL2403496)
Show SMILES Clc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
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n/an/a 2.53E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50140174
PNG
(CHEMBL2403495)
Show SMILES Fc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13FN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
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n/an/a 2.63E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50141094
PNG
(CHEMBL3752765)
Show SMILES Clc1ccccc1CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-9-5-4-8-13(14)10-16(21)20-17-19-15(11-22-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
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n/an/a 2.64E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50140174
PNG
(CHEMBL2403495)
Show SMILES Fc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13FN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
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n/an/a 2.66E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50139066
PNG
(CHEMBL2403494)
Show SMILES O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2OS/c20-16(11-13-7-3-1-4-8-13)19-17-18-15(12-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,19,20)
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n/an/a 3.07E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50139066
PNG
(CHEMBL2403494)
Show SMILES O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2OS/c20-16(11-13-7-3-1-4-8-13)19-17-18-15(12-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,19,20)
UniProtKB/SwissProt

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CHEMBL
PC cid
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n/an/a 3.25E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...

Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%