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Articleid 50030038

Compile data set for download or QSAR
Found 18 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 and butyrylcholinesterase (AChE and BChE)


(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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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
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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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex


Bioorg Med Chem Lett 7: 2599-2602 (1997)

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 254n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 676n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50060481
PNG
(5,6-Dihydro-benzo[c]acridin-7-ylamine | 5,6-dihydr...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50060481
PNG
(5,6-Dihydro-benzo[c]acridin-7-ylamine | 5,6-dihydr...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
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n/an/a 2.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060481
PNG
(5,6-Dihydro-benzo[c]acridin-7-ylamine | 5,6-dihydr...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 4.67E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50290516
PNG
(5H-6-Thia-12-aza-benzo[a]anthracen-7-ylamine | CHE...)
Show SMILES Nc1c2SCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2S/c17-14-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-19-16(14)15/h1-8H,9H2,(H2,17,18)
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50290517
PNG
(5H-6-Oxa-12-aza-benzo[a]anthracen-7-ylamine | CHEM...)
Show SMILES Nc1c2OCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2O/c17-14-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-19-16(14)15/h1-8H,9H2,(H2,17,18)
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n/an/a 6.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50012170
PNG
(2-Phenyl-quinolin-4-ylamine | CHEMBL50608)
Show SMILES Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17)
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n/an/a 1.15E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50012170
PNG
(2-Phenyl-quinolin-4-ylamine | CHEMBL50608)
Show SMILES Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50290516
PNG
(5H-6-Thia-12-aza-benzo[a]anthracen-7-ylamine | CHE...)
Show SMILES Nc1c2SCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2S/c17-14-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-19-16(14)15/h1-8H,9H2,(H2,17,18)
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n/an/a 1.86E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50012170
PNG
(2-Phenyl-quinolin-4-ylamine | CHEMBL50608)
Show SMILES Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50290517
PNG
(5H-6-Oxa-12-aza-benzo[a]anthracen-7-ylamine | CHEM...)
Show SMILES Nc1c2OCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2O/c17-14-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-19-16(14)15/h1-8H,9H2,(H2,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50290516
PNG
(5H-6-Thia-12-aza-benzo[a]anthracen-7-ylamine | CHE...)
Show SMILES Nc1c2SCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2S/c17-14-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-19-16(14)15/h1-8H,9H2,(H2,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50290517
PNG
(5H-6-Oxa-12-aza-benzo[a]anthracen-7-ylamine | CHEM...)
Show SMILES Nc1c2OCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2O/c17-14-12-7-3-4-8-13(12)18-15-11-6-2-1-5-10(11)9-19-16(14)15/h1-8H,9H2,(H2,17,18)
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n/an/a 2.45E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Acetylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

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