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BDBM214800 N-methylscopolamine (NMS)

SMILES: C[N+]1(C)[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1

InChI Key: InChIKey=LZCOQTDXKCNBEE-XJMZPCNVSA-N

Data: 22 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 214800   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
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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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 0.640n/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
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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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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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 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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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 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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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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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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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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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



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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 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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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



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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 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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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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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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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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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



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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 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 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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PC sid
PDB
UniChem
Article
PubMed
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