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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM46858'   
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 M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for muscarinic receptor site in rat hippocampus was determined using competitive radioligand binding assays employing [3H]OXO-M


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80157-8
BindingDB Entry DOI: 10.7270/Q20Z75ZJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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7.12E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 1.90n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetylcholine receptor


J Med Chem 31: 1312-6 (1988)


BindingDB Entry DOI: 10.7270/Q2B27VW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 20n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Central presynaptic activity as effect on electrically evoked acetylcholine release from rat hippocampal slices (M2 model)


J Med Chem 35: 15-27 (1992)


BindingDB Entry DOI: 10.7270/Q29022RV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 24n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-OXO-M (oxotremorine-M) from the central muscarinic receptor sites of the rat brain membranes


Bioorg Med Chem Lett 2: 809-814 (1992)


Article DOI: 10.1016/S0960-894X(00)80536-3
BindingDB Entry DOI: 10.7270/Q2T72HBX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 77n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


BindingDB Entry DOI: 10.7270/Q2RN3B25
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 115n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex Muscarinic acetylcholine receptor


J Med Chem 35: 2392-406 (1992)


BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 115n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]OXO-M binding to Muscarinic receptor from rat cortical homogenates


J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 75-170


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80326-7
BindingDB Entry DOI: 10.7270/Q2JW8HMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PDB
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of [3H]-(R)-QNB binding to muscarinic receptors of rat brain membranes.


J Med Chem 36: 842-7 (1993)


Article DOI: 10.1021/jm00059a008
BindingDB Entry DOI: 10.7270/Q26H4M4D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3H]-BRL 43694 displacement.


Citation and Details

BindingDB Entry DOI: 10.7270/Q24M96PX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase.


J Med Chem 29: 1004-9 (1986)


BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 10000-110...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80326-7
BindingDB Entry DOI: 10.7270/Q2JW8HMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates


J Med Chem 35: 1280-90 (1992)


BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex Muscarinic acetylcholine receptor


J Med Chem 35: 2392-406 (1992)


BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 1.06E+5n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


BindingDB Entry DOI: 10.7270/Q2RN3B25
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/an/an/a 73n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


BindingDB Entry DOI: 10.7270/Q2RN3B25
More data for this
Ligand-Target Pair