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PubMed code 1588567

Compile data set for download or QSAR
Found 18 hits of 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 receptor M2 and M3


(RAT)
BDBM50006246
PNG
(CHEMBL56734 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m0/s1
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90n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound to m-AcChR subtype Muscarinic acetylcholine receptor M2 of rat heart


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


(RAT)
BDBM50006245
PNG
(CHEMBL59587 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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140n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype Muscarinic acetylcholine receptor M2 of rat heart.


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


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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490n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M3 of rat sabmandibular glands


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


(RAT)
BDBM50006246
PNG
(CHEMBL56734 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m0/s1
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690n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound to m-AcChR subtype Muscarinic acetylcholine receptor M3 of rat sabmandibular glands


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006246
PNG
(CHEMBL56734 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound to m-AcChR subtype M1 of rat cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006245
PNG
(CHEMBL59587 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype M1 of rat cerebral cortex.


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


(RAT)
BDBM50006245
PNG
(CHEMBL59587 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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2.94E+3n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype Muscarinic acetylcholine receptor M3 of rat sabmandibular glands


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


(RAT)
BDBM50006247
PNG
(CHEMBL59085 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype Muscarinic acetylcholine receptor M2 of rat heart.


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


(RAT)
BDBM50006244
PNG
(CHEMBL294470 | Trimethyl-(5-methyl-4-oxo-tetrahydr...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1
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5.64E+3n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype Muscarinic acetylcholine receptor M2 of rat heart.


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


(RAT)
BDBM50006244
PNG
(CHEMBL294470 | Trimethyl-(5-methyl-4-oxo-tetrahydr...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1
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9.55E+3n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype Muscarinic acetylcholine receptor M3 of rat sabmandibular glands


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M1 of rat cerebral cortex.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006244
PNG
(CHEMBL294470 | Trimethyl-(5-methyl-4-oxo-tetrahydr...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1
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1.86E+4n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype M1 of rat cerebral cortex.


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


(RAT)
BDBM50006247
PNG
(CHEMBL59085 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m1/s1
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2.12E+4n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype Muscarinic acetylcholine receptor M3 of rat sabmandibular glands


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


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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2.16E+4n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M2 of rat heart.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006247
PNG
(CHEMBL59085 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m1/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against m-AcChR subtype M1 of rat cerebral cortex.


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


(RAT)
BDBM50006248
PNG
((4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-t...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m1/s1
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1.04E+5n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M3 of rat sabmandibular glands


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006248
PNG
((4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-t...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M1 of rat cerebral cortex.


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


(RAT)
BDBM50006248
PNG
((4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-t...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m1/s1
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2.52E+5n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M2 of rat heart.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%