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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'niu' and Initial = 'yy'   
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))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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0.110n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092961
PNG
(1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
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0.160n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092969
PNG
(CHEMBL74117 | Cyclopropyl-(4-{1-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C29H36N2O4S/c1-21(22-5-9-27(10-6-22)36(33,34)28-11-7-26(35-2)8-12-28)23-13-17-30(18-14-23)25-15-19-31(20-16-25)29(32)24-3-4-24/h5-12,23-25H,1,3-4,13-20H2,2H3
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0.260n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092958
PNG
(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3
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0.290n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092962
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C
Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3
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0.300n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092968
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3
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0.350n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092974
PNG
(1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3
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0.360n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092960
PNG
(1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3
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0.380n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092965
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3
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0.380n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092973
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C
Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
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0.410n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092963
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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0.450n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092970
PNG
(1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfon...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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0.460n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092972
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3
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0.590n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092964
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N2O5S/c1-20(22-12-16-28(17-13-22)23-14-18-29(19-15-23)27(30)34-3)21-4-8-25(9-5-21)35(31,32)26-10-6-24(33-2)7-11-26/h4-11,22-23H,1,12-19H2,2-3H3
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0.991n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092957
PNG
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3
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1.10n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092966
PNG
(1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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1.40n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092971
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C29H38N2O4S/c1-21(2)29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)36(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
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2.20n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092975
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C33H38N2O4S/c1-25(27-8-12-31(13-9-27)40(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092967
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O4S/c1-4-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)35(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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3.80n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092959
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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6.5n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092957
PNG
(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3
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9.10n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092968
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3
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9.80n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092962
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C
Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3
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10n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092963
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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11n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092973
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C
Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
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15n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092958
PNG
(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3
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26n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092961
PNG
(1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
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32n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092966
PNG
(1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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33n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092974
PNG
(1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3
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37n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092972
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3
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41n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092965
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3
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42n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092960
PNG
(1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3
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57n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092964
PNG
(4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...)
Show SMILES COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N2O5S/c1-20(22-12-16-28(17-13-22)23-14-18-29(19-15-23)27(30)34-3)21-4-8-25(9-5-21)35(31,32)26-10-6-24(33-2)7-11-26/h4-11,22-23H,1,12-19H2,2-3H3
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60n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092967
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N2O4S/c1-4-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)35(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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61n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092969
PNG
(CHEMBL74117 | Cyclopropyl-(4-{1-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C29H36N2O4S/c1-21(22-5-9-27(10-6-22)36(33,34)28-11-7-26(35-2)8-12-28)23-13-17-30(18-14-23)25-15-19-31(20-16-25)29(32)24-3-4-24/h5-12,23-25H,1,3-4,13-20H2,2H3
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68n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092970
PNG
(1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfon...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3
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74n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092975
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C33H38N2O4S/c1-25(27-8-12-31(13-9-27)40(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3
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96n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092971
PNG
(1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C29H38N2O4S/c1-21(2)29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)36(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3
UniProtKB/SwissProt

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117n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 17: 2260-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.058
BindingDB Entry DOI: 10.7270/Q2668H0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427125
PNG
(CHEMBL2323444)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C18H23NO4/c1-12(20)22-17-10-14-9-15(11-16(17)19(14)2)23-18(21)8-13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15+,16-,17-/m0/s1
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920n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427129
PNG
(CHEMBL2323441)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1Cl |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C17H20ClNO4/c1-10(20)22-16-8-11-7-12(9-15(16)19(11)2)23-17(21)13-5-3-4-6-14(13)18/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12+,15-,16-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427131
PNG
(CHEMBL2323446)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C17H21NO4/c1-11(19)21-16-9-13-8-14(10-15(16)18(13)2)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14+,15-,16-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427127
PNG
(CHEMBL2323442)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1[N+]([O-])=O |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C17H20N2O6/c1-10(20)24-16-8-11-7-12(9-15(16)18(11)2)25-17(21)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12+,15-,16-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50427129
PNG
(CHEMBL2323441)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1Cl |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C17H20ClNO4/c1-10(20)22-16-8-11-7-12(9-15(16)19(11)2)23-17(21)13-5-3-4-6-14(13)18/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12+,15-,16-/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50427127
PNG
(CHEMBL2323442)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1[N+]([O-])=O |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C17H20N2O6/c1-10(20)24-16-8-11-7-12(9-15(16)18(11)2)25-17(21)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12+,15-,16-/m0/s1
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9.80E+3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50427131
PNG
(CHEMBL2323446)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C17H21NO4/c1-11(19)21-16-9-13-8-14(10-15(16)18(13)2)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14+,15-,16-/m0/s1
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1.07E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50427125
PNG
(CHEMBL2323444)
Show SMILES CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
Show InChI InChI=1S/C18H23NO4/c1-12(20)22-17-10-14-9-15(11-16(17)19(14)2)23-18(21)8-13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15+,16-,17-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427126
PNG
(CHEMBL2323443)
Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1[N+]([O-])=O |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C17H20N2O6/c1-10(20)24-16-8-11-7-12(9-15(16)18(11)2)25-17(21)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12-,15-,16+/m0/s1
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6.60E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427130
PNG
(CHEMBL2323447)
Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C17H21NO4/c1-11(19)21-16-9-13-8-14(10-15(16)18(13)2)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14-,15-,16+/m0/s1
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7.10E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50427130
PNG
(CHEMBL2323447)
Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C17H21NO4/c1-11(19)21-16-9-13-8-14(10-15(16)18(13)2)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14-,15-,16+/m0/s1
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7.70E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50427128
PNG
(CHEMBL2321893)
Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1Cl |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C17H20ClNO4/c1-10(20)22-16-8-11-7-12(9-15(16)19(11)2)23-17(21)13-5-3-4-6-14(13)18/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12-,15-,16+/m0/s1
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8.30E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
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