Found 14 hits for monomerid = 50149891 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Muscarinic acetylcholine receptor M2 and M5
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB
Reactome pathway
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| PubMed
| 468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q29S1THC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB
Reactome pathway
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| Article PubMed
| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 284: 500-7 (1998)
Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2HX1B6S |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 284: 500-7 (1998)
Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2HX1B6S |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2 and M5
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB
Reactome pathway
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| 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Displacement of [3H]UR-AP060 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 3 hrs by liquid scintillation c... |
J Med Chem 60: 3314-3334 (2017)
BindingDB Entry DOI: 10.7270/Q29S1THC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | Reactome pathway
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| Article PubMed
| 8.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strasburg
Curated by ChEMBL
| Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre... |
J Med Chem 55: 2125-43 (2012)
Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
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| Article PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibition of Torpedo californica AChE |
J Med Chem 51: 3154-70 (2008)
Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 |
More data for this Ligand-Target Pair | |
Cholinesterases
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibition of human AChE |
J Med Chem 51: 3154-70 (2008)
Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinergic, muscarinic
(GUINEA PIG) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor |
J Med Chem 50: 5685-95 (2007)
Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3.15E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of Electrophorus electricus Acetylcholinesterase |
J Med Chem 50: 5685-95 (2007)
Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a |
University of Strasburg
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]... |
J Med Chem 55: 2125-43 (2012)
Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar
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Patents
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a |
University of Strasburg
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]... |
J Med Chem 55: 2125-43 (2012)
Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2 |
More data for this Ligand-Target Pair | |
Cholinesterases
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.11E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human Acetylcholinesterase |
J Med Chem 50: 5685-95 (2007)
Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Muscarinic acetylcholine receptor M2 and M5
(Homo sapiens (Human)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar
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Patents
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| PubMed
| n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay |
J Med Chem 60: 3314-3334 (2017)
BindingDB Entry DOI: 10.7270/Q29S1THC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50149891
 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
Reactome pathway KEGG
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.76E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibition of bovine AChE |
J Med Chem 51: 3154-70 (2008)
Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |