Found 10 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50109647' 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 |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint... |
J Med Chem 63: 4349-4369 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 790-7 (2001)
BindingDB Entry DOI: 10.7270/Q24T6GX9 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3 |
J Med Chem 45: 984-7 (2002)
BindingDB Entry DOI: 10.7270/Q2P26ZVK |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 718-26 (2001)
BindingDB Entry DOI: 10.7270/Q28G8J85 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
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 M3
(RAT) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 297: 718-26 (2001)
BindingDB Entry DOI: 10.7270/Q28G8J85 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland |
Bioorg Med Chem Lett 17: 5256-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid UniChem
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg
Curated by ChEMBL
| Assay Description Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a... |
J Med Chem 63: 4349-4369 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg
Curated by ChEMBL
| Assay Description Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for... |
J Med Chem 63: 4349-4369 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50109647
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Friedrich-Alexander-Universit£t Erlangen-N£rnberg
Curated by ChEMBL
| Assay Description Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition... |
J Med Chem 63: 4349-4369 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB |
More data for this Ligand-Target Pair | |