Found 9 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50241132' 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 M2
(Homo sapiens (Human)) | BDBM50241132
(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 | PDB
Reactome pathway
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| Article
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| 0.178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO cells after 120 mins by scintillation counting |
J Med Chem 55: 1783-7 (2012)
Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50241132
(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 | PDB
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| Article
PubMed
| 0.178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 201-7 (2010)
Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(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 | PDB
Reactome pathway
KEGG
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(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 | PDB
Reactome pathway
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(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 | PDB
Reactome pathway
KEGG
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PC sid
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| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC cid
PC sid
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| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(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 | PDB
Reactome pathway
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| Article
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| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute for Medical Research
Curated by PDSP Ki Database
| |
Annu Rev Pharmacol Toxicol 30: 633-73 (1990)
Article DOI: 10.1146/annurev.pa.30.040190.003221
BindingDB Entry DOI: 10.7270/Q21Z42WK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50241132
(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 | PDB
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS radioligand using membranes from transfect... |
Bioorg Med Chem Lett 8: 1991-6 (1999)
Article DOI: 10.1016/s0960-894x(98)00351-5
BindingDB Entry DOI: 10.7270/Q2FB53F2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50241132
(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 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 0.468 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description
Antagonist activity at muscarinic receptor M2 assessed as contraction of electrically-stimulated guinea pig left atria |
J Med Chem 50: 1409-13 (2007)
Article DOI: 10.1021/jm061374r
BindingDB Entry DOI: 10.7270/Q27H1KT4 |
More data for this
Ligand-Target Pair | |
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