Found 14980 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cholinergic receptor, muscarinic 4
(RAT) | BDBM48044
(3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...)Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22) | Reactome pathway
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| 4.68E-14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Curated by PubChem BioAssay
| Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2NV9GNV |
More data for this
Ligand-Target Pair | |
cholinergic receptor, muscarinic 4
(RAT) | BDBM48043
(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22) | Reactome pathway
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| 0.0000288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Curated by PubChem BioAssay
| Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2NV9GNV |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50296345
((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 | Reactome pathway
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| 0.00780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M1
(Homo sapiens (Human)) | BDBM50083651
((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 | Reactome pathway
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| 0.00794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M3
(Homo sapiens (Human)) | BDBM50296345
((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 | Reactome pathway
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| 0.00980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human recombinant M3 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
(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 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Antagonist activity at human M3 receptor expressed in CHO cells assessed as inhibition of carbachol-induced response after 30 mins by AP-1-driven luc... |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50337878
((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...)Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1 | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay |
Bioorg Med Chem Lett 21: 1354-8 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Bos taurus) | BDBM50055976
((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...)Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1 | KEGG
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Groningen University Hospital
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane |
J Med Chem 40: 117-24 (1997)
Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50095105
(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 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 K523A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 R133A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 D518A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 K213A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50083652
(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C42H72N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-33-41(47)49-36-38(42(48)50-35-37-30-26-25-27-31-37)44-40(46)34-43-39(45)32-28-23-21-19-17-14-12-10-8-6-4-2/h25-27,30-31,38H,3-24,28-29,32-36H2,1-2H3,(H,43,45)(H,44,46)/t38-/m0/s1 | Reactome pathway
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| 0.0129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M1
(Homo sapiens (Human)) | BDBM50296345
((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 | Reactome pathway
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| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human recombinant M1 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 M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 F225A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 F222A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 E220A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 E228A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2 and M5
(Homo sapiens (Human)) | BDBM50066861
(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+ | PDB
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Bos taurus) | BDBM50055978
(4-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1,...)Show SMILES C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H32NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3/q+1/t21-/m0/s1 | KEGG
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Groningen University Hospital
Curated by ChEMBL
| Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane |
J Med Chem 40: 117-24 (1997)
Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296345
((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 | PDB
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| 0.0215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M1 and M3
(Homo sapiens (Human)) | BDBM50066861
(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+ | Reactome pathway
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| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 Q224A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M5 chimeric protein
(Homo sapiens (Human)) | BDBM50296345
((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 | Reactome pathway
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| 0.0266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from human recombinant M5 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
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | PDB
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| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM50011851
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3 | PDB
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| 0.0297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat brain. |
J Med Chem 34: 3164-71 (1991)
Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50451113
(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 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50110523
(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 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50095097
(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 | PDB
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| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 M3
(Homo sapiens (Human)) | BDBM50412728
(CHEMBL521523)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1 | Reactome pathway
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| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay |
J Med Chem 51: 5915-8 (2008)
Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((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 | Reactome pathway
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| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting |
J Med Chem 58: 2609-22 (2015)
Article DOI: 10.1021/jm501915g
BindingDB Entry DOI: 10.7270/Q2N29ZNQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((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 | Reactome pathway
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Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay |
Bioorg Med Chem Lett 21: 1354-8 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | Reactome pathway
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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 M1
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | Reactome pathway
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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
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | Reactome pathway
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| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50110534
(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 | PDB
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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)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | PDB
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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 | |
CHRM5
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | Reactome pathway
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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 M1
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)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) | Reactome pathway
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Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(Homo sapiens (Human)) | BDBM50010096
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)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 | PDB
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Uppsala University
Curated by ChEMBL
| Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig. |
J Med Chem 40: 3804-19 (1997)
BindingDB Entry DOI: 10.7270/Q2XG9TVC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50010096
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)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 | PDB
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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 M3
(Homo sapiens (Human)) | BDBM50355612
(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) | Reactome pathway
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Pfizer Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
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 M3
(Homo sapiens (Human)) | BDBM50176723
((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1 Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-10-6-15(18)7-11-20)8-9-19(21,16-4-2-12-23-16)17-5-3-13-24-17/h2-5,12-13,15,21H,6-7,10-11,14H2,1H3/t18-/m1/s1 | Reactome pathway
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UCB Pharma SA
Curated by ChEMBL
| Assay Description
Binding affinity to human muscarinic M3 receptor |
Bioorg Med Chem Lett 16: 373-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50345693
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1 | Reactome pathway
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay |
J Med Chem 52: 5241-52 (2010)
Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(RAT) | BDBM50473051
(CHEMBL142136)Show SMILES OC(C(=O)OC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27NO3/c28-25(26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23)30-24-16-18-27(19-17-24)20-21-10-4-1-5-11-21/h1-15,24,29H,16-20H2 | PDB
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University of Michigan Medical School
Curated by ChEMBL
| Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine. |
J Med Chem 43: 4552-62 (2000)
BindingDB Entry DOI: 10.7270/Q29889RS |
More data for this
Ligand-Target Pair | |
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