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PubMed code 10052979

Compile data set for download or QSAR
Found 45 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 16n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 21n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against Butyrylcholinesterase (BuChE) from human serum

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 39n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		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 48n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 95n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074277
PNG
(CHEMBL25412 | [2-(1-Benzyl-piperidin-4-yl)-ethyl]-...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N4/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2,(H,25,27)
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n/an/a 120n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50074277
PNG
(CHEMBL25412 | [2-(1-Benzyl-piperidin-4-yl)-ethyl]-...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N4/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2,(H,25,27)
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n/an/a 140n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50074275
PNG
(CHEMBL543711 | [5-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES C(CCNc1ccc(nn1)-c1ccccc1)CCN1CCc2ccccc2C1
Show InChI InChI=1S/C24H28N4/c1-3-10-21(11-4-1)23-13-14-24(27-26-23)25-16-7-2-8-17-28-18-15-20-9-5-6-12-22(20)19-28/h1,3-6,9-14H,2,7-8,15-19H2,(H,25,27)
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n/an/a 310n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against Butyrylcholinesterase (BuChE) from human serum

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50074274
PNG
(CHEMBL1083057 | CHEMBL553187 | N-Benzyl-N-methyl-N...)
Show SMILES CN(CCCCCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H28N4/c1-27(19-20-11-5-2-6-12-20)18-10-4-9-17-24-23-16-15-22(25-26-23)21-13-7-3-8-14-21/h2-3,5-8,11-16H,4,9-10,17-19H2,1H3,(H,24,26)
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n/an/a 340n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against Butyrylcholinesterase (BuChE) from human serum

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50074277
PNG
(CHEMBL25412 | [2-(1-Benzyl-piperidin-4-yl)-ethyl]-...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N4/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2,(H,25,27)
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n/an/a 700n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against Butyrylcholinesterase (BuChE) from human serum

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074274
PNG
(CHEMBL1083057 | CHEMBL553187 | N-Benzyl-N-methyl-N...)
Show SMILES CN(CCCCCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H28N4/c1-27(19-20-11-5-2-6-12-20)18-10-4-9-17-24-23-16-15-22(25-26-23)21-13-7-3-8-14-21/h2-3,5-8,11-16H,4,9-10,17-19H2,1H3,(H,24,26)
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n/an/a 740n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50074274
PNG
(CHEMBL1083057 | CHEMBL553187 | N-Benzyl-N-methyl-N...)
Show SMILES CN(CCCCCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H28N4/c1-27(19-20-11-5-2-6-12-20)18-10-4-9-17-24-23-16-15-22(25-26-23)21-13-7-3-8-14-21/h2-3,5-8,11-16H,4,9-10,17-19H2,1H3,(H,24,26)
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n/an/a 930n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074278
PNG
((6-Benzo[1,3]dioxol-5-yl-4-methyl-pyridazin-3-yl)-...)
Show SMILES Cc1cc(nnc1NCCN1CCCCC1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O2/c1-14-11-16(15-5-6-17-18(12-15)25-13-24-17)21-22-19(14)20-7-10-23-8-3-2-4-9-23/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074270
PNG
(CHEMBL1085020 | CHEMBL163508 | [6-(4-Chloro-phenyl...)
Show SMILES Cc1cc(nnc1NCCN1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN4/c1-14-13-17(15-5-7-16(19)8-6-15)21-22-18(14)20-9-12-23-10-3-2-4-11-23/h5-8,13H,2-4,9-12H2,1H3,(H,20,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074281
PNG
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-piperidin-1-...)
Show SMILES Cc1cc(nnc1NCCN1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C18H24N4/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074282
PNG
((1-Benzyl-piperidin-4-ylmethyl)-(6-phenyl-pyridazi...)
Show SMILES C(Nc1ccc(nn1)-c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N4/c1-3-7-20(8-4-1)18-27-15-13-19(14-16-27)17-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,24,26)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
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 8.20E+3n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against Butyrylcholinesterase (BuChE) from human serum

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074275
PNG
(CHEMBL543711 | [5-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES C(CCNc1ccc(nn1)-c1ccccc1)CCN1CCc2ccccc2C1
Show InChI InChI=1S/C24H28N4/c1-3-10-21(11-4-1)23-13-14-24(27-26-23)25-16-7-2-8-17-28-18-15-20-9-5-6-12-22(20)19-28/h1,3-6,9-14H,2,7-8,15-19H2,(H,25,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074264
PNG
(CHEMBL1084257 | CHEMBL545126 | N-Benzyl-N-methyl-N...)
Show SMILES CN(CCCCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H26N4/c1-26(18-19-10-4-2-5-11-19)17-9-8-16-23-22-15-14-21(24-25-22)20-12-6-3-7-13-20/h2-7,10-15H,8-9,16-18H2,1H3,(H,23,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074265
PNG
((6-Phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)...)
Show SMILES C(CN1CCCCC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-9-10-17(20-19-16)18-11-14-21-12-5-2-6-13-21/h1,3-4,7-10H,2,5-6,11-14H2,(H,18,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074268
PNG
(CHEMBL1083055 | CHEMBL545585 | N-Benzyl-N-methyl-N...)
Show SMILES CN(CCCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H24N4/c1-25(17-18-9-4-2-5-10-18)16-8-15-22-21-14-13-20(23-24-21)19-11-6-3-7-12-19/h2-7,9-14H,8,15-17H2,1H3,(H,22,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074276
PNG
(CHEMBL25264 | CHEMBL541350 | [4-(3,4-Dihydro-1H-is...)
Show SMILES C(CCN1CCc2ccccc2C1)CNc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N4/c1-2-9-20(10-3-1)22-12-13-23(26-25-22)24-15-6-7-16-27-17-14-19-8-4-5-11-21(19)18-27/h1-5,8-13H,6-7,14-18H2,(H,24,26)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074288
PNG
(CHEMBL150985 | CHEMBL540602 | [6-(4-Chloro-phenyl)...)
Show SMILES Cc1cc(nnc1NCCN1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN4O/c1-13-12-16(14-2-4-15(18)5-3-14)20-21-17(13)19-6-7-22-8-10-23-11-9-22/h2-5,12H,6-11H2,1H3,(H,19,21)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074286
PNG
(CHEMBL1084255 | CHEMBL537388 | [3-(3,4-Dihydro-1H-...)
Show SMILES C(CNc1ccc(nn1)-c1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H24N4/c1-2-8-19(9-3-1)21-11-12-22(25-24-21)23-14-6-15-26-16-13-18-7-4-5-10-20(18)17-26/h1-5,7-12H,6,13-17H2,(H,23,25)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074266
PNG
((6-Phenyl-2,5-dihydro-[1,2,4]triazin-3-yl)-(2-pipe...)
Show SMILES C(CN1CCCCC1)NC1=NCC(=NN1)c1ccccc1 |c:13,t:10|
Show InChI InChI=1S/C16H23N5/c1-3-7-14(8-4-1)15-13-18-16(20-19-15)17-9-12-21-10-5-2-6-11-21/h1,3-4,7-8H,2,5-6,9-13H2,(H2,17,18,20)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50074275
PNG
(CHEMBL543711 | [5-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES C(CCNc1ccc(nn1)-c1ccccc1)CCN1CCc2ccccc2C1
Show InChI InChI=1S/C24H28N4/c1-3-10-21(11-4-1)23-13-14-24(27-26-23)25-16-7-2-8-17-28-18-15-20-9-5-6-12-22(20)19-28/h1,3-6,9-14H,2,7-8,15-19H2,(H,25,27)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074290
PNG
((5-Phenyl-[1,3,4]thiadiazol-2-yl)-(2-piperidin-1-y...)
Show SMILES C(CN1CCCCC1)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C15H20N4S/c1-3-7-13(8-4-1)14-17-18-15(20-14)16-9-12-19-10-5-2-6-11-19/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074283
PNG
((3-Phenyl-[1,2,4]triazin-6-yl)-(2-piperidin-1-yl-e...)
Show SMILES C(CN1CCCCC1)Nc1cnc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H21N5/c1-3-7-14(8-4-1)16-18-13-15(19-20-16)17-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,17,19)
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n/an/a 5.70E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074293
PNG
((6-Phenyl-[1,2,4]triazin-3-yl)-(2-piperidin-1-yl-e...)
Show SMILES C(CN1CCCCC1)Nc1ncc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H21N5/c1-3-7-14(8-4-1)15-13-18-16(20-19-15)17-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,17,18,20)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074267
PNG
((1-Ethyl-pyrrolidin-2-ylmethyl)-(6-phenyl-pyridazi...)
Show SMILES CCN1CCCC1CNc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-2-21-12-6-9-15(21)13-18-17-11-10-16(19-20-17)14-7-4-3-5-8-14/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,18,20)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074269
PNG
((1-Benzyl-piperidin-4-yl)-(6-phenyl-pyridazin-3-yl...)
Show SMILES C(N1CCC(CC1)Nc1ccc(nn1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N4/c1-3-7-18(8-4-1)17-26-15-13-20(14-16-26)23-22-12-11-21(24-25-22)19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,23,25)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074273
PNG
((5-Phenyl-pyridin-2-yl)-(2-piperidin-1-yl-ethyl)-a...)
Show SMILES C(CN1CCCCC1)Nc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C18H23N3/c1-3-7-16(8-4-1)17-9-10-18(20-15-17)19-11-14-21-12-5-2-6-13-21/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,19,20)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074265
PNG
((6-Phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)...)
Show SMILES C(CN1CCCCC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-9-10-17(20-19-16)18-11-14-21-12-5-2-6-13-21/h1,3-4,7-10H,2,5-6,11-14H2,(H,18,20)
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n/an/a 7.10E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074292
PNG
(CHEMBL1085275 | CHEMBL541613 | [2-(3,4-Dihydro-1H-...)
Show SMILES C(CN1CCc2ccccc2C1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C21H22N4/c1-2-7-18(8-3-1)20-10-11-21(24-23-20)22-13-15-25-14-12-17-6-4-5-9-19(17)16-25/h1-11H,12-16H2,(H,22,24)
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074289
PNG
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)
Show SMILES Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
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n/an/a 8.50E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074272
PNG
((5-Phenyl-pyrimidin-2-yl)-(2-piperidin-1-yl-ethyl)...)
Show SMILES C(CN1CCCCC1)Nc1ncc(cn1)-c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-13-19-17(20-14-16)18-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074280
PNG
(3-(2-Morpholin-4-yl-ethylamino)-6-phenyl-pyridazin...)
Show SMILES N#Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074271
PNG
(CHEMBL1086185 | CHEMBL538062 | N-Benzyl-N-methyl-N...)
Show SMILES CN(CCNc1ccc(nn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C20H22N4/c1-24(16-17-8-4-2-5-9-17)15-14-21-20-13-12-19(22-23-20)18-10-6-3-7-11-18/h2-13H,14-16H2,1H3,(H,21,23)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074285
PNG
((4,6-Diphenyl-pyridazin-3-yl)-(2-morpholin-4-yl-et...)
Show SMILES C(CN1CCOCC1)Nc1nnc(cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-3-7-18(8-4-1)20-17-21(19-9-5-2-6-10-19)24-25-22(20)23-11-12-26-13-15-27-16-14-26/h1-10,17H,11-16H2,(H,23,25)
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n/an/a 2.60E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074291
PNG
(CHEMBL1082741 | CHEMBL557161 | N*3*-(2-Morpholin-4...)
Show SMILES Nc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C16H21N5O/c17-14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-22-11-9-21/h1-5,12H,6-11H2,(H2,17,19)(H,18,20)
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n/an/a 2.70E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074284
PNG
((3-Morpholin-4-yl-propyl)-(6-phenyl-pyridazin-3-yl...)
Show SMILES C(CNc1ccc(nn1)-c1ccccc1)CN1CCOCC1
Show InChI InChI=1S/C17H22N4O/c1-2-5-15(6-3-1)16-7-8-17(20-19-16)18-9-4-10-21-11-13-22-14-12-21/h1-3,5-8H,4,9-14H2,(H,18,20)
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n/an/a 4.10E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074263
PNG
(CHEMBL1083676 | CHEMBL542287 | [3-(2-Morpholin-4-y...)
Show SMILES OCc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N4O2/c22-13-15-12-16(14-4-2-1-3-5-14)19-20-17(15)18-6-7-21-8-10-23-11-9-21/h1-5,12,22H,6-11,13H2,(H,18,20)
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n/an/a 4.40E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074287
PNG
((2-Morpholin-4-yl-ethyl)-(6-phenyl-4-trifluorometh...)
Show SMILES FC(F)(F)c1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H19F3N4O/c18-17(19,20)14-12-15(13-4-2-1-3-5-13)22-23-16(14)21-6-7-24-8-10-25-11-9-24/h1-5,12H,6-11H2,(H,21,23)
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n/an/a 7.40E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50074279
PNG
((2-Morpholin-4-yl-ethyl)-(6-phenyl-pyridazin-3-yl)...)
Show SMILES C(CN1CCOCC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)15-6-7-16(19-18-15)17-8-9-20-10-12-21-13-11-20/h1-7H,8-13H2,(H,17,19)
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n/an/a 8.00E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of Torpedo californica acetylcholinesterase.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50074279
PNG
((2-Morpholin-4-yl-ethyl)-(6-phenyl-pyridazin-3-yl)...)
Show SMILES C(CN1CCOCC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)15-6-7-16(19-18-15)17-8-9-20-10-12-21-13-11-20/h1-7H,8-13H2,(H,17,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase in homogenized rat striatum.

J Med Chem 42: 730-41 (1999)


Article DOI: 10.1021/jm981101z
BindingDB Entry DOI: 10.7270/Q26M37JW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%