Found 69 hits for monomerid = 50403547 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 M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin... |
J Med Chem 40: 3804-19 (1997)
Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)
Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig by (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB displacement. |
J Med Chem 40: 3804-19 (1997)
Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea... |
J Med Chem 40: 3804-19 (1997)
Article DOI: 10.1021/jm970346t BindingDB Entry DOI: 10.7270/Q2XG9TVC |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex |
J Med Chem 40: 538-46 (1997)
Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex |
J Med Chem 41: 3220-31 (1998)
Article DOI: 10.1021/jm9708588 BindingDB Entry DOI: 10.7270/Q2M32ZH9 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart |
J Med Chem 41: 3220-31 (1998)
Article DOI: 10.1021/jm9708588 BindingDB Entry DOI: 10.7270/Q2M32ZH9 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g... |
J Med Chem 41: 3220-31 (1998)
Article DOI: 10.1021/jm9708588 BindingDB Entry DOI: 10.7270/Q2M32ZH9 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 1.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Walter Reed Army Institute of Research
Curated by ChEMBL
| Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M4 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis |
Bioorg Med Chem 21: 2651-62 (2013)
Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | UniProtKB/SwissProt
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| Article PubMed
| 0.922 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Walter Reed Army Institute of Research
Curated by ChEMBL
| Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis |
Bioorg Med Chem 21: 2651-62 (2013)
Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| 2.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Walter Reed Army Institute of Research
Curated by ChEMBL
| Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis |
Bioorg Med Chem 21: 2651-62 (2013)
Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1.44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Walter Reed Army Institute of Research
Curated by ChEMBL
| Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis |
Bioorg Med Chem 21: 2651-62 (2013)
Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
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Similars
| Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
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Similars
| Article PubMed
| 2.5 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)pipe... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
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| Article PubMed
| 19 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)pipe... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
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Similars
| Article PubMed
| 4.90 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)pipe... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
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Similars
| Article PubMed
| 3.20 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)p... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| 7.10 | 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 4-(2-((1E,3E)-5-((E)-1-(6-((3,5-Bis((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| 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/t13-,14+,15+,16? | PDB
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Similars
| Article PubMed
| 0.912 | 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]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plat... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |