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PDB code 4U16

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 29 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50241132
PNG
(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
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0.135n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50241132
PNG
(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
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0.135n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50241132
PNG
(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
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0.25n/an/an/an/an/an/an/an/a



National Institute for Medical Research

Curated by PDSP Ki Database




Annu Rev Pharmacol Toxicol 30: 633-73 (1990)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50241132
PNG
(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
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n/an/a 1.10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS radioligand using membranes from trans...


Citation and Details
More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T180C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.751n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.555n/an/an/an/an/a



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Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa K548C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.555n/an/an/an/an/a



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Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T549C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.564n/an/an/an/an/a



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Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa F550C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.556n/an/an/an/an/a



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Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R551C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.524n/an/an/an/an/a



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Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T552C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.438n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T553C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.548n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa F554C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.583n/an/an/an/an/a



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Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa K555C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.553n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T556C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.462n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.440n/an/an/an/an/a



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Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R176C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.470n/an/an/an/an/a



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Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T180C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 1.11n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa F550C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 1.15n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T553C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 1.02n/an/an/an/an/a



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Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T556C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.640n/an/an/an/an/a



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Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50015727
PNG
(7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3...)
Show SMILES C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(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
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n/an/an/a 0.440n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50241132
PNG
(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
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n/an/an/a 0.617n/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor in guinea pig ileum assessed as effect on isotonic tension after 60 mins


J Med Chem 53: 201-7 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50241132
PNG
(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
MMDB

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n/an/an/a 0.617n/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic receptor M3 assessed as contraction of guinea pig ileum


J Med Chem 50: 1409-13 (2007)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R179C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.493n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa K178C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.499n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa A177C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.521n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R176C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.484n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(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
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n/an/an/a 0.403n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output