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PubMed code 18640043

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
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262216
PNG
(CHEMBL467376 | N-(4-chlorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C17H22ClN3OS/c1-20-8-2-3-13(11-20)16-12-21(9-10-22-16)17(23)19-15-6-4-14(18)5-7-15/h3-7,16H,2,8-12H2,1H3,(H,19,23)
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 310n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262161
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(4-me...)
Show SMILES COc1ccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)cc1 |t:16|
Show InChI InChI=1S/C18H25N3O2S/c1-20-9-3-4-14(12-20)17-13-21(10-11-23-17)18(24)19-15-5-7-16(22-2)8-6-15/h4-8,17H,3,9-13H2,1-2H3,(H,19,24)
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 4.00E+3n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262218
PNG
(CHEMBL467377 | N-(4-fluorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C17H22FN3OS/c1-20-8-2-3-13(11-20)16-12-21(9-10-22-16)17(23)19-15-6-4-14(18)5-7-15/h3-7,16H,2,8-12H2,1H3,(H,19,23)
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 7.00E+3n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262217
PNG
(CHEMBL513665 | N-(2-fluorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1F |c:4|
Show InChI InChI=1S/C17H22FN3OS/c1-20-8-4-5-13(11-20)16-12-21(9-10-22-16)17(23)19-15-7-3-2-6-14(15)18/h2-3,5-7,16H,4,8-12H2,1H3,(H,19,23)
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 1.50E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262219
PNG
(CHEMBL446925 | N-(2,4-dichlorophenyl)-2-(1,2,5,6-t...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1Cl |c:4|
Show InChI InChI=1S/C17H21Cl2N3OS/c1-21-6-2-3-12(10-21)16-11-22(7-8-23-16)17(24)20-15-5-4-13(18)9-14(15)19/h3-5,9,16H,2,6-8,10-11H2,1H3,(H,20,24)
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 3.10E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262160
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(3-me...)
Show SMILES COc1cccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)c1 |t:17|
Show InChI InChI=1S/C18H25N3O2S/c1-20-8-4-5-14(12-20)17-13-21(9-10-23-17)18(24)19-15-6-3-7-16(11-15)22-2/h3,5-7,11,17H,4,8-10,12-13H2,1-2H3,(H,19,24)
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 4.10E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262220
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-pheny...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1 |c:4|
Show InChI InChI=1S/C17H23N3OS/c1-19-9-5-6-14(12-19)16-13-20(10-11-21-16)17(22)18-15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3,(H,18,22)
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 4.90E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262215
PNG
(CHEMBL467375 | N-(3-chlorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1cccc(Cl)c1 |c:4|
Show InChI InChI=1S/C17H22ClN3OS/c1-20-7-3-4-13(11-20)16-12-21(8-9-22-16)17(23)19-15-6-2-5-14(18)10-15/h2,4-6,10,16H,3,7-9,11-12H2,1H3,(H,19,23)
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 8.50E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262159
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(2-me...)
Show SMILES COc1ccccc1NC(=S)N1CCOC(C1)C1=CCCN(C)C1 |t:19|
Show InChI InChI=1S/C18H25N3O2S/c1-20-9-5-6-14(12-20)17-13-21(10-11-23-17)18(24)19-15-7-3-4-8-16(15)22-2/h3-4,6-8,17H,5,9-13H2,1-2H3,(H,19,24)
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 9.80E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262162
PNG
(CHEMBL469250 | N-(2-chlorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H22ClN3OS/c1-20-8-4-5-13(11-20)16-12-21(9-10-22-16)17(23)19-15-7-3-2-6-14(15)18/h2-3,5-7,16H,4,8-12H2,1H3,(H,19,23)
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 2.14E+5n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262216
PNG
(CHEMBL467376 | N-(4-chlorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C17H22ClN3OS/c1-20-8-2-3-13(11-20)16-12-21(9-10-22-16)17(23)19-15-6-4-14(18)5-7-15/h3-7,16H,2,8-12H2,1H3,(H,19,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262161
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(4-me...)
Show SMILES COc1ccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)cc1 |t:16|
Show InChI InChI=1S/C18H25N3O2S/c1-20-9-3-4-14(12-20)17-13-21(10-11-23-17)18(24)19-15-5-7-16(22-2)8-6-15/h4-8,17H,3,9-13H2,1-2H3,(H,19,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262218
PNG
(CHEMBL467377 | N-(4-fluorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C17H22FN3OS/c1-20-8-2-3-13(11-20)16-12-21(9-10-22-16)17(23)19-15-6-4-14(18)5-7-15/h3-7,16H,2,8-12H2,1H3,(H,19,23)
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262217
PNG
(CHEMBL513665 | N-(2-fluorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1F |c:4|
Show InChI InChI=1S/C17H22FN3OS/c1-20-8-4-5-13(11-20)16-12-21(9-10-22-16)17(23)19-15-7-3-2-6-14(15)18/h2-3,5-7,16H,4,8-12H2,1H3,(H,19,23)
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262219
PNG
(CHEMBL446925 | N-(2,4-dichlorophenyl)-2-(1,2,5,6-t...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1Cl |c:4|
Show InChI InChI=1S/C17H21Cl2N3OS/c1-21-6-2-3-12(10-21)16-11-22(7-8-23-16)17(24)20-15-5-4-13(18)9-14(15)19/h3-5,9,16H,2,6-8,10-11H2,1H3,(H,20,24)
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262160
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(3-me...)
Show SMILES COc1cccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)c1 |t:17|
Show InChI InChI=1S/C18H25N3O2S/c1-20-8-4-5-14(12-20)17-13-21(9-10-23-17)18(24)19-15-6-3-7-16(11-15)22-2/h3,5-7,11,17H,4,8-10,12-13H2,1-2H3,(H,19,24)
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262220
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-pheny...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1 |c:4|
Show InChI InChI=1S/C17H23N3OS/c1-19-9-5-6-14(12-19)16-13-20(10-11-21-16)17(22)18-15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3,(H,18,22)
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n/an/a 1.53E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262215
PNG
(CHEMBL467375 | N-(3-chlorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1cccc(Cl)c1 |c:4|
Show InChI InChI=1S/C17H22ClN3OS/c1-20-7-3-4-13(11-20)16-12-21(8-9-22-16)17(23)19-15-6-2-5-14(18)10-15/h2,4-6,10,16H,3,7-9,11-12H2,1H3,(H,19,23)
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n/an/a 2.36E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262159
PNG
(2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(2-me...)
Show SMILES COc1ccccc1NC(=S)N1CCOC(C1)C1=CCCN(C)C1 |t:19|
Show InChI InChI=1S/C18H25N3O2S/c1-20-9-5-6-14(12-20)17-13-21(10-11-23-17)18(24)19-15-7-3-4-8-16(15)22-2/h3-4,6-8,17H,5,9-13H2,1-2H3,(H,19,24)
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n/an/a 3.62E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50262162
PNG
(CHEMBL469250 | N-(2-chlorophenyl)-2-(1,2,5,6-tetra...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H22ClN3OS/c1-20-8-4-5-13(11-20)16-12-21(9-10-22-16)17(23)19-15-7-3-2-6-14(15)18/h2-3,5-7,16H,4,8-12H2,1H3,(H,19,23)
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n/an/a 5.15E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 7095-101 (2008)


Article DOI: 10.1016/j.bmc.2008.06.053
BindingDB Entry DOI: 10.7270/Q2WM1D7C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%