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PubMed code 8709135

Compile data set for download or QSAR
Found 20 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))
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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PubMed
n/an/a 46n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in rat red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
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 75n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in monkey red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
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 78n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in human red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
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 143n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in mouse red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9347
PNG
((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...)
Show SMILES Nc1c2C(O)CCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
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n/an/a 361n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in rat red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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n/an/a 411n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in rat red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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n/an/a 476n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in monkey red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50052409
PNG
(7-Hydroxytacrine | 9-Amino-1,2,3,4-tetrahydro-acri...)
Show SMILES Nc1c2CCC(O)Cc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-7-8(16)5-6-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 483n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in rat red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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n/an/a 521n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in human red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052409
PNG
(7-Hydroxytacrine | 9-Amino-1,2,3,4-tetrahydro-acri...)
Show SMILES Nc1c2CCC(O)Cc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-7-8(16)5-6-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 623n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in human red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9347
PNG
((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...)
Show SMILES Nc1c2C(O)CCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
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n/an/a 702n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in human red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052409
PNG
(7-Hydroxytacrine | 9-Amino-1,2,3,4-tetrahydro-acri...)
Show SMILES Nc1c2CCC(O)Cc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-7-8(16)5-6-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 759n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in monkey red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9347
PNG
((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...)
Show SMILES Nc1c2C(O)CCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
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n/an/a 954n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in monkey red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9347
PNG
((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...)
Show SMILES Nc1c2C(O)CCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in mouse red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50052409
PNG
(7-Hydroxytacrine | 9-Amino-1,2,3,4-tetrahydro-acri...)
Show SMILES Nc1c2CCC(O)Cc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-7-8(16)5-6-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in mouse red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in mouse red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052411
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-2-ol | CHEMBL31...)
Show SMILES Nc1c2CC(O)CCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in human red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50052411
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-2-ol | CHEMBL31...)
Show SMILES Nc1c2CC(O)CCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in rat red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052411
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-2-ol | CHEMBL31...)
Show SMILES Nc1c2CC(O)CCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in monkey red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50052411
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-2-ol | CHEMBL31...)
Show SMILES Nc1c2CC(O)CCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
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n/an/a 4.82E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in mouse red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%