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BDBM50042469 1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin-2-one::CHEMBL119615

SMILES: C[C@@H]1CCN(CC#CCN(C)C)C1=O

InChI Key: InChIKey=ZLYDESMUNQSKFD-SNVBAGLBSA-N

Data: 5 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50042469   
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)
BDBM50042469
PNG
(1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin...)
Show SMILES C[C@@H]1CCN(CC#CCN(C)C)C1=O
Show InChI InChI=1S/C11H18N2O/c1-10-6-9-13(11(10)14)8-5-4-7-12(2)3/h10H,6-9H2,1-3H3/t10-/m1/s1
PDB

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PubMed
71n/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)
BDBM50042469
PNG
(1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin...)
Show SMILES C[C@@H]1CCN(CC#CCN(C)C)C1=O
Show InChI InChI=1S/C11H18N2O/c1-10-6-9-13(11(10)14)8-5-4-7-12(2)3/h10H,6-9H2,1-3H3/t10-/m1/s1
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PC sid
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PubMed
240n/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 M1


(RAT)
BDBM50042469
PNG
(1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin...)
Show SMILES C[C@@H]1CCN(CC#CCN(C)C)C1=O
Show InChI InChI=1S/C11H18N2O/c1-10-6-9-13(11(10)14)8-5-4-7-12(2)3/h10H,6-9H2,1-3H3/t10-/m1/s1
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PubMed
6.80E+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)
BDBM50042469
PNG
(1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin...)
Show SMILES C[C@@H]1CCN(CC#CCN(C)C)C1=O
Show InChI InChI=1S/C11H18N2O/c1-10-6-9-13(11(10)14)8-5-4-7-12(2)3/h10H,6-9H2,1-3H3/t10-/m1/s1
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UniChem

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PubMed
8.90E+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 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)
BDBM50042469
PNG
(1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin...)
Show SMILES C[C@@H]1CCN(CC#CCN(C)C)C1=O
Show InChI InChI=1S/C11H18N2O/c1-10-6-9-13(11(10)14)8-5-4-7-12(2)3/h10H,6-9H2,1-3H3/t10-/m1/s1
PDB

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UniChem

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PubMed
9.30E+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 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