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PubMed code 3965704

Compile data set for download or QSAR
Found 22 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


(Rattus norvegicus (rat))		BDBM50405151
PNG
(CHEMBL276539)
Show SMILES BrCCCCCC[n+]1ccccc1
Show InChI InChI=1S/C11H17BrN/c12-8-4-1-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-11H,1-2,4-5,8-9H2/q+1
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n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405151
PNG
(CHEMBL276539)
Show SMILES BrCCCCCC[n+]1ccccc1
Show InChI InChI=1S/C11H17BrN/c12-8-4-1-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-11H,1-2,4-5,8-9H2/q+1
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n/an/a 9.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405157
PNG
(CHEMBL15886)
Show SMILES CC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C13H23N2O3/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18/h4-10H2,1-3H3/q+1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405157
PNG
(CHEMBL15886)
Show SMILES CC[N+](C)(CC)CC(=O)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C13H23N2O3/c1-4-15(3,5-2)10-11(16)8-9-14-12(17)6-7-13(14)18/h4-10H2,1-3H3/q+1
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n/an/a 1.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405154
PNG
(CHEMBL278956)
Show SMILES CC[N+](C)(CC)CCc1ccncc1
Show InChI InChI=1S/C12H21N2/c1-4-14(3,5-2)11-8-12-6-9-13-10-7-12/h6-7,9-10H,4-5,8,11H2,1-3H3/q+1
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405149
PNG
(CHEMBL556129)
Show SMILES C[n+]1ccccc1CCC(O)CCl
Show InChI InChI=1S/C10H15ClNO/c1-12-7-3-2-4-9(12)5-6-10(13)8-11/h2-4,7,10,13H,5-6,8H2,1H3/q+1
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405149
PNG
(CHEMBL556129)
Show SMILES C[n+]1ccccc1CCC(O)CCl
Show InChI InChI=1S/C10H15ClNO/c1-12-7-3-2-4-9(12)5-6-10(13)8-11/h2-4,7,10,13H,5-6,8H2,1H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405154
PNG
(CHEMBL278956)
Show SMILES CC[N+](C)(CC)CCc1ccncc1
Show InChI InChI=1S/C12H21N2/c1-4-14(3,5-2)11-8-12-6-9-13-10-7-12/h6-7,9-10H,4-5,8,11H2,1-3H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405153
PNG
(CHEMBL1159683)
Show SMILES CC1C=CN(C)c2c1c1C(CCc1n2C)OCCCl |c:2|
Show InChI InChI=1S/C15H21ClN2O/c1-10-6-8-17(2)15-13(10)14-11(18(15)3)4-5-12(14)19-9-7-16/h6,8,10,12H,4-5,7,9H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405150
PNG
(CHEMBL15795)
Show SMILES C[N+](C)(C)CCCCl
Show InChI InChI=1S/C6H15ClN/c1-8(2,3)6-4-5-7/h4-6H2,1-3H3/q+1
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n/an/a 2.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405150
PNG
(CHEMBL15795)
Show SMILES C[N+](C)(C)CCCCl
Show InChI InChI=1S/C6H15ClN/c1-8(2,3)6-4-5-7/h4-6H2,1-3H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405159
PNG
(CHEMBL276538)
Show SMILES C[n+]1ccccc1CCl
Show InChI InChI=1S/C7H9ClN/c1-9-5-3-2-4-7(9)6-8/h2-5H,6H2,1H3/q+1
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n/an/a 3.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405153
PNG
(CHEMBL1159683)
Show SMILES CC1C=CN(C)c2c1c1C(CCc1n2C)OCCCl |c:2|
Show InChI InChI=1S/C15H21ClN2O/c1-10-6-8-17(2)15-13(10)14-11(18(15)3)4-5-12(14)19-9-7-16/h6,8,10,12H,4-5,7,9H2,1-3H3
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n/an/a 3.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405159
PNG
(CHEMBL276538)
Show SMILES C[n+]1ccccc1CCl
Show InChI InChI=1S/C7H9ClN/c1-9-5-3-2-4-7(9)6-8/h2-5H,6H2,1H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405156
PNG
(CHEMBL539117)
Show SMILES C[n+]1ccccc1CCN1C(=O)CCC1=O
Show InChI InChI=1S/C12H15N2O2/c1-13-8-3-2-4-10(13)7-9-14-11(15)5-6-12(14)16/h2-4,8H,5-7,9H2,1H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405158
PNG
(CHEMBL538102)
Show SMILES CCN(CC)CCc1cccc[n+]1C
Show InChI InChI=1S/C12H21N2/c1-4-14(5-2)11-9-12-8-6-7-10-13(12)3/h6-8,10H,4-5,9,11H2,1-3H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405158
PNG
(CHEMBL538102)
Show SMILES CCN(CC)CCc1cccc[n+]1C
Show InChI InChI=1S/C12H21N2/c1-4-14(5-2)11-9-12-8-6-7-10-13(12)3/h6-8,10H,4-5,9,11H2,1-3H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405155
PNG
(CHEMBL539116)
Show SMILES C[n+]1ccc(CCN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H15N2O2/c1-13-7-4-10(5-8-13)6-9-14-11(15)2-3-12(14)16/h4-5,7-8H,2-3,6,9H2,1H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405156
PNG
(CHEMBL539117)
Show SMILES C[n+]1ccccc1CCN1C(=O)CCC1=O
Show InChI InChI=1S/C12H15N2O2/c1-13-8-3-2-4-10(13)7-9-14-11(15)5-6-12(14)16/h2-4,8H,5-7,9H2,1H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405155
PNG
(CHEMBL539116)
Show SMILES C[n+]1ccc(CCN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H15N2O2/c1-13-7-4-10(5-8-13)6-9-14-11(15)2-3-12(14)16/h4-5,7-8H,2-3,6,9H2,1H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405152
PNG
(CHEMBL15822)
Show SMILES CC[N+](C)(CC)CCc1ccccn1
Show InChI InChI=1S/C12H21N2/c1-4-14(3,5-2)11-9-12-8-6-7-10-13-12/h6-8,10H,4-5,9,11H2,1-3H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat brain homogenates

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50405152
PNG
(CHEMBL15822)
Show SMILES CC[N+](C)(CC)CCc1ccccn1
Show InChI InChI=1S/C12H21N2/c1-4-14(3,5-2)11-9-12-8-6-7-10-13-12/h6-8,10H,4-5,9,11H2,1-3H3/q+1
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TBA

Curated by ChEMBL


Assay Description
Effect on Acetylcholinesterase activity in rat erythrocytes

J Med Chem 28: 111-6 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7R17
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%