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SMILES: CC1CCN(CC#CCN2CCCC2)C1=O

InChI Key: InChIKey=RBHAGHKWJLVUQN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004737   
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
Muscarinic acetylcholine receptor


(Cavia porcellus)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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n/an/an/an/a 500n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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710n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat cortex.


J Med Chem 36: 3533-41 (1994)


BindingDB Entry DOI: 10.7270/Q28916GB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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290n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity at [3H]PZ radiolabeled muscarinic M1 receptor in rat cortex.


J Med Chem 36: 3533-41 (1994)


BindingDB Entry DOI: 10.7270/Q28916GB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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n/an/an/a 1.15E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.


J Med Chem 33: 580-4 (1990)


BindingDB Entry DOI: 10.7270/Q2GB2687
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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15n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex.


J Med Chem 36: 3533-41 (1994)


BindingDB Entry DOI: 10.7270/Q28916GB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Cavia porcellus)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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n/an/an/a 1.15E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


J Med Chem 35: 3270-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart.


J Med Chem 36: 3533-41 (1994)


BindingDB Entry DOI: 10.7270/Q28916GB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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80n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat heart.


J Med Chem 36: 3533-41 (1994)


BindingDB Entry DOI: 10.7270/Q28916GB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined


J Med Chem 33: 580-4 (1990)


BindingDB Entry DOI: 10.7270/Q2GB2687
More data for this
Ligand-Target Pair