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Compile Data Set for Download or QSAR

Found 5621 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
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0.00780n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095105
PNG
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3
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0.0100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095105
PNG
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3
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0.0100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2311-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00435-8
BindingDB Entry DOI: 10.7270/Q28S4P7Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50066861
PNG
(BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+
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0.0200n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to human M2 receptor


J Med Chem 56: 8746-56 (2013)


Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
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0.0215n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0270n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50021919
PNG
(CHEMBL3298595)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1
Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H
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0.0270n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart


Bioorg Med Chem 22: 3478-87 (2014)


Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0300n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)


Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110523
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES C[C@@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H34N2O4S/c1-19-17-27(22-6-4-3-5-7-22)14-15-28(19)20(2)21-8-10-23(11-9-21)33(29,30)24-12-13-25-26(16-24)32-18-31-25/h8-13,16,19-20,22H,3-7,14-15,17-18H2,1-2H3/t19-,20-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110539
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H34N2O4S/c1-19-17-27(22-6-4-3-5-7-22)14-15-28(19)20(2)21-8-10-23(11-9-21)33(29,30)24-12-13-25-26(16-24)32-18-31-25/h8-13,16,19-20,22H,3-7,14-15,17-18H2,1-2H3/t19-,20+/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095111
PNG
(4-{(4R,5R)-2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H40N2O8S/c1-4-37-30(34)33-17-13-25(14-18-33)32-15-11-24(12-16-32)31(40-21(2)22(3)41-31)23-5-7-26(8-6-23)42(35,36)27-9-10-28-29(19-27)39-20-38-28/h5-10,19,21-22,24-25H,4,11-18,20H2,1-3H3/t21-,22-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H](-)-quinuclidinyl bezilate(QNB) from M2 receptor in rat heart homogenate


J Med Chem 36: 848-54 (1993)


Article DOI: 10.1021/jm00059a009
BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB (quinuclidinyl benzylate) from muscarinic M2 receptor of rat heart homogenates.


Bioorg Med Chem Lett 7: 979-984 (1997)


Article DOI: 10.1016/S0960-894X(97)00143-1
BindingDB Entry DOI: 10.7270/Q2N29XFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095097
PNG
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6S4/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3
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0.0310n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0340n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0370n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 2352-4 (1993)


Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0400n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110534
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN([C@@H](C)C1)C1CCCCC1
Show InChI InChI=1S/C26H36N2O3S/c1-20-19-27(17-18-28(20)23-7-5-4-6-8-23)21(2)22-9-13-25(14-10-22)32(29,30)26-15-11-24(31-3)12-16-26/h9-16,20-21,23H,4-8,17-19H2,1-3H3/t20-,21+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50021928
PNG
(CHEMBL3298599)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H
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0.0530n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart


Bioorg Med Chem 22: 3478-87 (2014)


Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50355612
PNG
(CHEMBL1910848)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1
Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31)
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0.0560n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451114
PNG
(CHEMBL2115128)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m0/s1
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0.0570n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50296336
PNG
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)
Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1
Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
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0.0610n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525115
PNG
(CHEMBL4582879)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C47H73N13O6.5C2HF3O2/c1-33(53-46(66)39(54-34(2)61)15-7-9-21-48)43(63)56-38(16-11-22-52-47(49)50)45(65)51-23-27-58-30-28-57(29-31-58)24-10-8-12-35-19-25-59(26-20-35)32-42(62)60-40-17-5-3-13-36(40)44(64)55-37-14-4-6-18-41(37)60;5*3-2(4,5)1(6)7/h3-6,13-14,17-18,33,35,38-39H,7-12,15-16,19-32,48H2,1-2H3,(H,51,65)(H,53,66)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52);5*(H,6,7)/t33-,38-,39-;;;;;/m0...../s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells using 0.2 nM [3H]-NMS after 3 hrs by microbeta2 scin...


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting ...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525130
PNG
(CHEMBL4540949)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C44H68N12O5.5C2HF3O2/c1-32(57)50-37(14-6-8-20-45)43(61)52-36(15-10-21-49-44(46)47)42(60)48-22-26-54-29-27-53(28-30-54)23-9-7-11-33-18-24-55(25-19-33)31-40(58)56-38-16-4-2-12-34(38)41(59)51-35-13-3-5-17-39(35)56;5*3-2(4,5)1(6)7/h2-5,12-13,16-17,33,36-37H,6-11,14-15,18-31,45H2,1H3,(H,48,60)(H,50,57)(H,51,59)(H,52,61)(H4,46,47,49);5*(H,6,7)/t36-,37-;;;;;/m0...../s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525115
PNG
(CHEMBL4582879)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C47H73N13O6.5C2HF3O2/c1-33(53-46(66)39(54-34(2)61)15-7-9-21-48)43(63)56-38(16-11-22-52-47(49)50)45(65)51-23-27-58-30-28-57(29-31-58)24-10-8-12-35-19-25-59(26-20-35)32-42(62)60-40-17-5-3-13-36(40)44(64)55-37-14-4-6-18-41(37)60;5*3-2(4,5)1(6)7/h3-6,13-14,17-18,33,35,38-39H,7-12,15-16,19-32,48H2,1-2H3,(H,51,65)(H,53,66)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52);5*(H,6,7)/t33-,38-,39-;;;;;/m0...../s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50121132
PNG
((4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H38N2O7S/c1-24-4-2-3-5-30(24)33(37)36-18-14-27(15-19-36)35-16-12-26(13-17-35)34(42-20-21-43-34)25-6-8-28(9-7-25)44(38,39)29-10-11-31-32(22-29)41-23-40-31/h2-11,22,26-27H,12-21,23H2,1H3
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0.0650n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 12: 3479-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00742-4
BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair
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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0.0700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095112
PNG
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H36N2O8S/c1-2-35-28(32)31-15-11-23(12-16-31)30-13-9-22(10-14-30)29(38-17-18-39-29)21-3-5-24(6-4-21)40(33,34)25-7-8-26-27(19-25)37-20-36-26/h3-8,19,22-23H,2,9-18,20H2,1H3
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0.0730n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50083651
PNG
((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)
Show SMILES CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(30)27-19-25(31)28-23(20-29)26(32)33-21-22-16-13-12-14-17-22/h12-14,16-17,23,29H,2-11,15,18-21H2,1H3,(H,27,30)(H,28,31)/t23-/m0/s1
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0.0759n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assay


Bioorg Med Chem Lett 9: 3363-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00604-6
BindingDB Entry DOI: 10.7270/Q2668CDH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM85817
PNG
(NNC 11-1585)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2
Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
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0.0790n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525115
PNG
(CHEMBL4582879)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C47H73N13O6.5C2HF3O2/c1-33(53-46(66)39(54-34(2)61)15-7-9-21-48)43(63)56-38(16-11-22-52-47(49)50)45(65)51-23-27-58-30-28-57(29-31-58)24-10-8-12-35-19-25-59(26-20-35)32-42(62)60-40-17-5-3-13-36(40)44(64)55-37-14-4-6-18-41(37)60;5*3-2(4,5)1(6)7/h3-6,13-14,17-18,33,35,38-39H,7-12,15-16,19-32,48H2,1-2H3,(H,51,65)(H,53,66)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52);5*(H,6,7)/t33-,38-,39-;;;;;/m0...../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells using 2 nM [3H]-NMS after 3 hrs by microbeta2 scinti...


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525122
PNG
(CHEMBL4589047)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525110
PNG
(CHEMBL4455570)
Show SMILES CN1CCC(=CC1)c1nsnc1OCCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C39H52N8O3S/c1-43-20-16-31(17-21-43)37-39(42-51-41-37)50-28-8-19-45-26-24-44(25-27-45)18-7-6-9-30-14-22-46(23-15-30)29-36(48)47-34-12-4-2-10-32(34)38(49)40-33-11-3-5-13-35(33)47/h2-5,10-13,16,30H,6-9,14-15,17-29H2,1H3,(H,40,49)
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525124
PNG
(CHEMBL4569639)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C47H65N9O6.4C2HF3O2/c1-34(57)50-40(13-6-8-22-48)47(62)52-41(32-36-16-18-37(58)19-17-36)46(61)49-23-27-54-30-28-53(29-31-54)24-9-7-10-35-20-25-55(26-21-35)33-44(59)56-42-14-4-2-11-38(42)45(60)51-39-12-3-5-15-43(39)56;4*3-2(4,5)1(6)7/h2-5,11-12,14-19,35,40-41,58H,6-10,13,20-33,48H2,1H3,(H,49,61)(H,50,57)(H,51,60)(H,52,62);4*(H,6,7)/t40-,41-;;;;/m0..../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50525132
PNG
(CHEMBL4451383)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C47H65N9O6.4C2HF3O2/c1-34(57)50-41(32-36-16-18-37(58)19-17-36)47(62)52-40(13-6-8-22-48)46(61)49-23-27-54-30-28-53(29-31-54)24-9-7-10-35-20-25-55(26-21-35)33-44(59)56-42-14-4-2-11-38(42)45(60)51-39-12-3-5-15-43(39)56;4*3-2(4,5)1(6)7/h2-5,11-12,14-19,35,40-41,58H,6-10,13,20-33,48H2,1H3,(H,49,61)(H,50,57)(H,51,60)(H,52,62);4*(H,6,7)/t40-,41-;;;;/m0..../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.0800n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


BindingDB Entry DOI: 10.7270/Q25Q4TMX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50296331
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50296329
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003)


Article DOI: 10.1016/j.pnpbp.2003.09.008
BindingDB Entry DOI: 10.7270/Q2M61HTM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110543
PNG
(CHEMBL167396 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C38H41N3O6S/c1-27-25-40(30-18-20-39(21-19-30)38(42)34-10-6-7-11-35(34)47-31-8-4-3-5-9-31)22-23-41(27)28(2)29-12-14-32(15-13-29)48(43,44)33-16-17-36-37(24-33)46-26-45-36/h3-17,24,27-28,30H,18-23,25-26H2,1-2H3/t27-,28+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110551
PNG
(CHEMBL352291 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1cccc2OCOc12)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H37N3O7S/c1-22-19-35(25-12-14-34(15-13-25)33(37)28-4-3-5-30-32(28)43-21-41-30)16-17-36(22)23(2)24-6-8-26(9-7-24)44(38,39)27-10-11-29-31(18-27)42-20-40-29/h3-11,18,22-23,25H,12-17,19-21H2,1-2H3/t22-,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110555
PNG
(CHEMBL164935 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES COc1ccccc1C(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C33H39N3O6S/c1-23-21-35(26-14-16-34(17-15-26)33(37)29-6-4-5-7-30(29)40-3)18-19-36(23)24(2)25-8-10-27(11-9-25)43(38,39)28-12-13-31-32(20-28)42-22-41-31/h4-13,20,23-24,26H,14-19,21-22H2,1-3H3/t23-,24+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110557
PNG
(CHEMBL352380 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36ClN3O5S/c1-22-20-35(25-13-15-34(16-14-25)32(37)28-5-3-4-6-29(28)33)17-18-36(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25H,13-18,20-21H2,1-2H3/t22-,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
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