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PubMed code 15026073

Compile data set for download or QSAR
Found 28 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 M2


(Homo sapiens (Human))		BDBM50111346
PNG
((2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenes...)
Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
Show InChI InChI=1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3
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 0.890n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50121489
PNG
((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...)
Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7]
Show InChI InChI=1S/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3
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 0.890n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142811
PNG
(4-{2-[1'-(1H-Indole-4-carbonyl)-[1,4']bipiperidiny...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C32H40N4O4/c1-22(2)34-30(37)23-6-8-24(9-7-23)32(39-20-21-40-32)25-11-16-35(17-12-25)26-13-18-36(19-14-26)31(38)28-4-3-5-29-27(28)10-15-33-29/h3-10,15,22,25-26,33H,11-14,16-21H2,1-2H3,(H,34,37)
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142801
PNG
(4-[1'-(3-Amino-2-methyl-benzoyl)-[1,4']bipiperidin...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(N)c2C)cc1
Show InChI InChI=1S/C29H40N4O2/c1-20(2)31-28(34)24-9-7-22(8-10-24)19-23-11-15-32(16-12-23)25-13-17-33(18-14-25)29(35)26-5-4-6-27(30)21(26)3/h4-10,20,23,25H,11-19,30H2,1-3H3,(H,31,34)
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 1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142805
PNG
(4-[1'-(1H-Indole-4-carbonyl)-[1,4']bipiperidinyl-4...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C30H38N4O2/c1-21(2)32-29(35)24-8-6-22(7-9-24)20-23-11-16-33(17-12-23)25-13-18-34(19-14-25)30(36)27-4-3-5-28-26(27)10-15-31-28/h3-10,15,21,23,25,31H,11-14,16-20H2,1-2H3,(H,32,35)
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 1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142819
PNG
(4-{2-[1'-(3-Amino-2-methyl-benzoyl)-[1,4']bipiperi...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C
Show InChI InChI=1S/C31H42N4O4/c1-21(2)33-29(36)23-7-9-24(10-8-23)31(38-19-20-39-31)25-11-15-34(16-12-25)26-13-17-35(18-14-26)30(37)27-5-4-6-28(32)22(27)3/h4-10,21,25-26H,11-20,32H2,1-3H3,(H,33,36)
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 1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142809
PNG
(4-[1'-(4-Fluoro-naphthalene-1-carbonyl)-[1,4']bipi...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
Show InChI InChI=1S/C32H38FN3O2/c1-22(2)34-31(37)25-9-7-23(8-10-25)21-24-13-17-35(18-14-24)26-15-19-36(20-16-26)32(38)29-11-12-30(33)28-6-4-3-5-27(28)29/h3-12,22,24,26H,13-21H2,1-2H3,(H,34,37)
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 2.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142804
PNG
(4-{2-[1'-(4-Fluoro-naphthalene-1-carbonyl)-[1,4']b...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12
Show InChI InChI=1S/C34H40FN3O4/c1-23(2)36-32(39)24-7-9-25(10-8-24)34(41-21-22-42-34)26-13-17-37(18-14-26)27-15-19-38(20-16-27)33(40)30-11-12-31(35)29-6-4-3-5-28(29)30/h3-12,23,26-27H,13-22H2,1-2H3,(H,36,39)
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 2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142806
PNG
(4-{2-[1'-(2-Amino-3-methyl-benzoyl)-[1,4']bipiperi...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
Show InChI InChI=1S/C31H42N4O4/c1-21(2)33-29(36)23-7-9-24(10-8-23)31(38-19-20-39-31)25-11-15-34(16-12-25)26-13-17-35(18-14-26)30(37)27-6-4-5-22(3)28(27)32/h4-10,21,25-26H,11-20,32H2,1-3H3,(H,33,36)
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 2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142814
PNG
(4-[1'-(1H-Indole-5-carbonyl)-[1,4']bipiperidinyl-4...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C30H38N4O2/c1-21(2)32-29(35)24-5-3-22(4-6-24)19-23-10-15-33(16-11-23)27-12-17-34(18-13-27)30(36)26-7-8-28-25(20-26)9-14-31-28/h3-9,14,20-21,23,27,31H,10-13,15-19H2,1-2H3,(H,32,35)
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142813
PNG
(4-[1'-(5,7-Difluoro-naphthalene-1-carbonyl)-[1,4']...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3c(F)cc(F)cc23)cc1
Show InChI InChI=1S/C32H37F2N3O2/c1-21(2)35-31(38)24-8-6-22(7-9-24)18-23-10-14-36(15-11-23)26-12-16-37(17-13-26)32(39)28-5-3-4-27-29(28)19-25(33)20-30(27)34/h3-9,19-21,23,26H,10-18H2,1-2H3,(H,35,38)
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142817
PNG
(4-[1'-(1H-Indole-3-carbonyl)-[1,4']bipiperidinyl-4...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C30H38N4O2/c1-21(2)32-29(35)24-9-7-22(8-10-24)19-23-11-15-33(16-12-23)25-13-17-34(18-14-25)30(36)27-20-31-28-6-4-3-5-26(27)28/h3-10,20-21,23,25,31H,11-19H2,1-2H3,(H,32,35)
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 6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142803
PNG
(CHEMBL49975 | N-Isopropyl-4-[1'-(2-methyl-benzoyl)...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C29H39N3O2/c1-21(2)30-28(33)25-10-8-23(9-11-25)20-24-12-16-31(17-13-24)26-14-18-32(19-15-26)29(34)27-7-5-4-6-22(27)3/h4-11,21,24,26H,12-20H2,1-3H3,(H,30,33)
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 7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142818
PNG
(CHEMBL300845 | N-Isopropyl-4-{2-[1'-(2-methyl-benz...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C31H41N3O4/c1-22(2)32-29(35)24-8-10-25(11-9-24)31(37-20-21-38-31)26-12-16-33(17-13-26)27-14-18-34(19-15-27)30(36)28-7-5-4-6-23(28)3/h4-11,22,26-27H,12-21H2,1-3H3,(H,32,35)
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 9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142812
PNG
(4-[1'-(2-Amino-3-methyl-benzoyl)-[1,4']bipiperidin...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
Show InChI InChI=1S/C29H40N4O2/c1-20(2)31-28(34)24-9-7-22(8-10-24)19-23-11-15-32(16-12-23)25-13-17-33(18-14-25)29(35)26-6-4-5-21(3)27(26)30/h4-10,20,23,25H,11-19,30H2,1-3H3,(H,31,34)
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 9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142820
PNG
(4-[1'-(4,5-Difluoro-naphthalene-1-carbonyl)-[1,4']...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3c(F)cccc23)cc1
Show InChI InChI=1S/C32H37F2N3O2/c1-21(2)35-31(38)24-8-6-22(7-9-24)20-23-12-16-36(17-13-23)25-14-18-37(19-15-25)32(39)27-10-11-29(34)30-26(27)4-3-5-28(30)33/h3-11,21,23,25H,12-20H2,1-2H3,(H,35,38)
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 9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142807
PNG
(4-[1'-(2-Chloro-benzoyl)-[1,4']bipiperidinyl-4-ylm...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C28H36ClN3O2/c1-20(2)30-27(33)23-9-7-21(8-10-23)19-22-11-15-31(16-12-22)24-13-17-32(18-14-24)28(34)25-5-3-4-6-26(25)29/h3-10,20,22,24H,11-19H2,1-2H3,(H,30,33)
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 12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142802
PNG
(CHEMBL51339 | N-Cyclohexyl-4-[1'-(2-methyl-benzoyl...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C32H43N3O2/c1-24-7-5-6-10-30(24)32(37)35-21-17-29(18-22-35)34-19-15-26(16-20-34)23-25-11-13-27(14-12-25)31(36)33-28-8-3-2-4-9-28/h5-7,10-14,26,28-29H,2-4,8-9,15-23H2,1H3,(H,33,36)
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 15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50121490
PNG
((4-Fluoro-naphthalen-1-yl)-{4-[4-(propane-2-sulfon...)
Show SMILES CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
Show InChI InChI=1S/C31H37FN2O3S/c1-22(2)38(36,37)26-9-7-23(8-10-26)21-24-13-17-33(18-14-24)25-15-19-34(20-16-25)31(35)29-11-12-30(32)28-6-4-3-5-27(28)29/h3-12,22,24-25H,13-21H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142824
PNG
(CHEMBL301354 | N-tert-Butyl-4-[1'-(4-fluoro-naphth...)
Show SMILES CC(C)(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
Show InChI InChI=1S/C33H40FN3O2/c1-33(2,3)35-31(38)25-10-8-23(9-11-25)22-24-14-18-36(19-15-24)26-16-20-37(21-17-26)32(39)29-12-13-30(34)28-7-5-4-6-27(28)29/h4-13,24,26H,14-22H2,1-3H3,(H,35,38)
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 18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142815
PNG
(4-[1'-(1H-Benzoimidazole-4-carbonyl)-[1,4']bipiper...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3nc[nH]c23)cc1
Show InChI InChI=1S/C29H37N5O2/c1-20(2)32-28(35)23-8-6-21(7-9-23)18-22-10-14-33(15-11-22)24-12-16-34(17-13-24)29(36)25-4-3-5-26-27(25)31-19-30-26/h3-9,19-20,22,24H,10-18H2,1-2H3,(H,30,31)(H,32,35)
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 27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142810
PNG
(4-{2-[1'-(2-Chloro-benzoyl)-[1,4']bipiperidinyl-4-...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H38ClN3O4/c1-21(2)32-28(35)22-7-9-23(10-8-22)30(37-19-20-38-30)24-11-15-33(16-12-24)25-13-17-34(18-14-25)29(36)26-5-3-4-6-27(26)31/h3-10,21,24-25H,11-20H2,1-2H3,(H,32,35)
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 35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142808
PNG
(CHEMBL54155 | N-Isopropyl-4-[1'-(quinoline-4-carbo...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccnc3ccccc23)cc1
Show InChI InChI=1S/C31H38N4O2/c1-22(2)33-30(36)25-9-7-23(8-10-25)21-24-12-17-34(18-13-24)26-14-19-35(20-15-26)31(37)28-11-16-32-29-6-4-3-5-27(28)29/h3-11,16,22,24,26H,12-15,17-21H2,1-2H3,(H,33,36)
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 40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142816
PNG
(4-[1'-(2-Amino-benzoyl)-[1,4']bipiperidinyl-4-ylme...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2N)cc1
Show InChI InChI=1S/C28H38N4O2/c1-20(2)30-27(33)23-9-7-21(8-10-23)19-22-11-15-31(16-12-22)24-13-17-32(18-14-24)28(34)25-5-3-4-6-26(25)29/h3-10,20,22,24H,11-19,29H2,1-2H3,(H,30,33)
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 78n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142825
PNG
(4-[1'-(4-Fluoro-naphthalene-1-carbonyl)-[1,4']bipi...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)C(=O)Nc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C35H36FN3O2/c36-33-15-14-32(30-8-4-5-9-31(30)33)35(41)39-22-18-29(19-23-39)38-20-16-26(17-21-38)24-25-10-12-27(13-11-25)34(40)37-28-6-2-1-3-7-28/h1-15,26,29H,16-24H2,(H,37,40)
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 104n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142822
PNG
(CHEMBL51982 | N-tert-Butyl-4-[1'-(2-methyl-benzoyl...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C30H41N3O2/c1-22-7-5-6-8-27(22)29(35)33-19-15-26(16-20-33)32-17-13-24(14-18-32)21-23-9-11-25(12-10-23)28(34)31-30(2,3)4/h5-12,24,26H,13-21H2,1-4H3,(H,31,34)
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 106n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142821
PNG
(4-[1'-(2-Methyl-benzoyl)-[1,4']bipiperidinyl-4-ylm...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C32H37N3O2/c1-24-7-5-6-10-30(24)32(37)35-21-17-29(18-22-35)34-19-15-26(16-20-34)23-25-11-13-27(14-12-25)31(36)33-28-8-3-2-4-9-28/h2-14,26,29H,15-23H2,1H3,(H,33,36)
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 122n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50142823
PNG
(CHEMBL53190 | N-Cyclohexyl-4-[1'-(4-fluoro-naphtha...)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)C(=O)NC3CCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C35H42FN3O2/c36-33-15-14-32(30-8-4-5-9-31(30)33)35(41)39-22-18-29(19-23-39)38-20-16-26(17-21-38)24-25-10-12-27(13-11-25)34(40)37-28-6-2-1-3-7-28/h4-5,8-15,26,28-29H,1-3,6-7,16-24H2,(H,37,40)
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 1.30E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.

Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%