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Articleid 50028892

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


(Homo sapiens (human))
BDBM50279984
PNG
(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...)
Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12
Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279990
PNG
(10-Amino-3,4-dihydro-2H-1-oxa-7-aza-9-azonia-anthr...)
Show SMILES Nc1c2CCCOc2nc2cnccc12
Show InChI InChI=1S/C11H11N3O/c12-10-7-3-4-13-6-9(7)14-11-8(10)2-1-5-15-11/h3-4,6H,1-2,5H2,(H2,12,14)
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279995
PNG
(8-Fluoro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...)
Show SMILES Nc1c2CCCCc2nc2cccc(F)c12
Show InChI InChI=1S/C13H13FN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279983
PNG
(8-Methyl-1,2,3,4-tetrahydro-acridin-9-ylamine | CH...)
Show SMILES Cc1cccc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-8-12-13(9)14(15)10-6-2-3-7-11(10)16-12/h4-5,8H,2-3,6-7H2,1H3,(H2,15,16)
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n/an/a 99n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
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 143n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279993
PNG
(5-Methyl-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-y...)
Show SMILES Cc1cccc2nc3OCCCc3c(N)c12
Show InChI InChI=1S/C13H14N2O/c1-8-4-2-6-10-11(8)12(14)9-5-3-7-16-13(9)15-10/h2,4,6H,3,5,7H2,1H3,(H2,14,15)
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279988
PNG
(10-Amino-3,4-dihydro-2H-1-oxa-9-azonia-anthracene ...)
Show SMILES Nc1c2CCCOc2nc2ccccc12
Show InChI InChI=1S/C12H12N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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Article
n/an/a 266n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279981
PNG
(5-Chloro-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-y...)
Show SMILES Nc1c2CCCOc2nc2cccc(Cl)c12
Show InChI InChI=1S/C12H11ClN2O/c13-8-4-1-5-9-10(8)11(14)7-3-2-6-16-12(7)15-9/h1,4-5H,2-3,6H2,(H2,14,15)
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Article
n/an/a 313n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279982
PNG
(5-Fluoro-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-y...)
Show SMILES Nc1c2CCCOc2nc2cccc(F)c12
Show InChI InChI=1S/C12H11FN2O/c13-8-4-1-5-9-10(8)11(14)7-3-2-6-16-12(7)15-9/h1,4-5H,2-3,6H2,(H2,14,15)
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n/an/a 335n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279996
PNG
(1,2,3,4,5,6,7,8-Octahydro-acridin-9-ylamine | CHEM...)
Show SMILES Nc1c2CCCCc2nc2CCCCc12
Show InChI InChI=1S/C13H18N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H2,14,15)
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279997
PNG
(6,7,8,9-Tetrahydro-benzo[b][1,8]naphthyridin-5-yla...)
Show SMILES Nc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C12H13N3/c13-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-14-12/h3,5,7H,1-2,4,6H2,(H2,13,14,15)
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n/an/a 429n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279980
PNG
(3,4,5,6,7,8-Hexahydro-2H-1-oxa-9-aza-anthracen-10-...)
Show SMILES Nc1c2CCCCc2nc2OCCCc12
Show InChI InChI=1S/C12H16N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-7H2,(H2,13,14)
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n/an/a 455n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279994
PNG
(5-Methoxy-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-...)
Show SMILES COc1cccc2nc3OCCCc3c(N)c12
Show InChI InChI=1S/C13H14N2O2/c1-16-10-6-2-5-9-11(10)12(14)8-4-3-7-17-13(8)15-9/h2,5-6H,3-4,7H2,1H3,(H2,14,15)
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n/an/a 606n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279985
PNG
(8-Methoxy-1,2,3,4-tetrahydro-acridin-9-ylamine | 9...)
Show SMILES COc1cccc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C14H16N2O/c1-17-12-8-4-7-11-13(12)14(15)9-5-2-3-6-10(9)16-11/h4,7-8H,2-3,5-6H2,1H3,(H2,15,16)
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n/an/a 615n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279987
PNG
(2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-y...)
Show SMILES Nc1c2CCCc2nc2CCCCc12
Show InChI InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
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n/an/a 658n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279986
PNG
(1,2,3,6,7,8-Hexahydro-5-oxa-4-aza-cyclopenta[b]nap...)
Show SMILES Nc1c2CCCc2nc2OCCCc12
Show InChI InChI=1S/C11H14N2O/c12-10-7-3-1-5-9(7)13-11-8(10)4-2-6-14-11/h1-6H2,(H2,12,13)
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n/an/a 1.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279992
PNG
(6,7,8,9-Tetrahydro-benzo[b][1,7]naphthyridin-5-yla...)
Show SMILES Nc1c2CCCCc2nc2cnccc12
Show InChI InChI=1S/C12H13N3/c13-12-8-3-1-2-4-10(8)15-11-7-14-6-5-9(11)12/h5-7H,1-4H2,(H2,13,15)
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 3.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279991
PNG
(10-Amino-3,4-dihydro-2H-1-oxa-8-aza-9-azonia-anthr...)
Show SMILES Nc1c2CCCOc2nc2ncccc12
Show InChI InChI=1S/C11H11N3O/c12-9-7-3-1-5-13-10(7)14-11-8(9)4-2-6-15-11/h1,3,5H,2,4,6H2,(H2,12,13,14)
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n/an/a 6.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50279989
PNG
(10-Amino-6-chloro-3,4-dihydro-2H-1-oxa-9-azonia-an...)
Show SMILES Nc1c2CCCOc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C12H11ClN2O/c13-7-3-4-10-9(6-7)11(14)8-2-1-5-16-12(8)15-10/h3-4,6H,1-2,5H2,(H2,14,15)
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n/an/a 9.81E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%