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SMILES: COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2

InChI Key: InChIKey=FXBXWJPMXQHOGD-WUKNDPDISA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50065223   
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 M2


(RAT)
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/a 150n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro Muscarinic acetylcholine receptor M2 binding was evaluated in rat brain membranes by using [3H]- Oxo-M


J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/an/an/a 7.12E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositol hydrolysis in the mouse fibroblast cell line A9L-M1 expressing Muscarinic acetylcholine receptor M1.


J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/an/an/a 2.67E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested for its potency towards Muscarinic acetylcholine receptor M2 by inhibiting forskolin induced c-AMP formation in CHO-M2 cells


J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/a 5.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M2


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards muscarinic receptor using [3H]cis-methyldioxolane (CMD) to label agonist sites in membrane preparations from rat neocortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736T2X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/an/an/a>1.00E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor


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


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


(Homo sapiens (Human))
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/an/an/a 2.80E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of cAMP in CHO cells expressing human m2 receptor


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)
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/a 167n/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)
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/a 6.93E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards muscarinic receptor using [3H]quinuclidinyl benzilate (QNB) to label antagonist sites in membrane preparations from rat neoc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736T2X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065223
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-p...)
Show SMILES COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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n/an/a 7.68E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M1


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
More data for this
Ligand-Target Pair