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PubMed code 18359231

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
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260415
PNG
(4-(2-Chloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3
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 260n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260414
PNG
(4-(4-tert-Butyl-benzenesulfonyl)-2-(1-methyl-1,2,5...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:4|
Show InChI InChI=1S/C20H30N2O3S/c1-20(2,3)17-7-9-18(10-8-17)26(23,24)22-12-13-25-19(15-22)16-6-5-11-21(4)14-16/h6-10,19H,5,11-15H2,1-4H3
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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]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260413
PNG
(4-(4-Methyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3
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 1.40E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260418
PNG
(4-Benzenesulfonyl-2-(1-methyl-1,2,5,6-tetrahydropy...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3
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 2.70E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260417
PNG
(4-(2,5-Dichloro-benzenesulfonyl)-2-(1-methyl-1,2,5...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cc(Cl)ccc1Cl |c:4|
Show InChI InChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3
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 3.50E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260420
PNG
(4-(3-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H21N3O5S/c1-17-7-3-4-13(11-17)16-12-18(8-9-24-16)25(22,23)15-6-2-5-14(10-15)19(20)21/h2,4-6,10,16H,3,7-9,11-12H2,1H3
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 6.20E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260421
PNG
(4-(4-Nitro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-te...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H21N3O5S/c1-17-8-2-3-13(11-17)16-12-18(9-10-24-16)25(22,23)15-6-4-14(5-7-15)19(20)21/h3-7,16H,2,8-12H2,1H3
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 6.40E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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 8.60E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260419
PNG
(4-(2-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H21N3O5S/c1-17-8-4-5-13(11-17)15-12-18(9-10-24-15)25(22,23)16-7-3-2-6-14(16)19(20)21/h2-3,5-7,15H,4,8-12H2,1H3
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 9.60E+4n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260415
PNG
(4-(2-Chloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3
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n/an/a 920n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260414
PNG
(4-(4-tert-Butyl-benzenesulfonyl)-2-(1-methyl-1,2,5...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:4|
Show InChI InChI=1S/C20H30N2O3S/c1-20(2,3)17-7-9-18(10-8-17)26(23,24)22-12-13-25-19(15-22)16-6-5-11-21(4)14-16/h6-10,19H,5,11-15H2,1-4H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260413
PNG
(4-(4-Methyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260418
PNG
(4-Benzenesulfonyl-2-(1-methyl-1,2,5,6-tetrahydropy...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260417
PNG
(4-(2,5-Dichloro-benzenesulfonyl)-2-(1-methyl-1,2,5...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cc(Cl)ccc1Cl |c:4|
Show InChI InChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3
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n/an/a 1.15E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260420
PNG
(4-(3-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H21N3O5S/c1-17-7-3-4-13(11-17)16-12-18(8-9-24-16)25(22,23)15-6-2-5-14(10-15)19(20)21/h2,4-6,10,16H,3,7-9,11-12H2,1H3
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n/an/a 2.01E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260421
PNG
(4-(4-Nitro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-te...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H21N3O5S/c1-17-8-2-3-13(11-17)16-12-18(9-10-24-16)25(22,23)15-6-4-14(5-7-15)19(20)21/h3-7,16H,2,8-12H2,1H3
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n/an/a 2.08E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50260419
PNG
(4-(2-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...)
Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H21N3O5S/c1-17-8-4-5-13(11-17)15-12-18(9-10-24-15)25(22,23)16-7-3-2-6-14(16)19(20)21/h2-3,5-7,15H,4,8-12H2,1H3
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n/an/a 3.14E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 4.69E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


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

Bioorg Med Chem 16: 5157-63 (2008)


Article DOI: 10.1016/j.bmc.2008.03.019
BindingDB Entry DOI: 10.7270/Q26973CD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%