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BDBM50005677 CHEMBL23957::OXO-M::Trimethyl-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-ammonium; iodide

SMILES: C[N+](C)(C)CC#CCN1CCCC1=O

InChI Key: InChIKey=CANZROMYQDHYHR-UHFFFAOYSA-N

Data: 8 KI  5 IC50  4 EC50

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 17 hits for monomerid = 50005677   
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)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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0.780n/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 M1


(Homo sapiens (Human))
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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2.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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60n/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 M2


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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756n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1335-44 (1996)


BindingDB Entry DOI: 10.7270/Q2XG9PPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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910n/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)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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1.20E+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]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 M2


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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1.50E+3n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL




J Med Chem 36: 3533-41 (1994)


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


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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8.70E+3n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1335-44 (1996)


BindingDB Entry DOI: 10.7270/Q2XG9PPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/an/an/a 700n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/a 13n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/a 13n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 2392-406 (1992)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
PDB

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n/an/a 2.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 2392-406 (1992)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 31: 164-8 (1988)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/an/an/a 2.30E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M5-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)


Article DOI: 10.1016/j.bmc.2010.07.060
BindingDB Entry DOI: 10.7270/Q2SF2WFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)


Article DOI: 10.1016/j.bmc.2010.07.060
BindingDB Entry DOI: 10.7270/Q2SF2WFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/an/an/a 7.40E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M1-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)


Article DOI: 10.1016/j.bmc.2010.07.060
BindingDB Entry DOI: 10.7270/Q2SF2WFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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CHEMBL
PC cid
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n/an/a 2.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




J Med Chem 35: 1280-90 (1992)

More data for this
Ligand-Target Pair