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PubMed code 1578480

Compile data set for download or QSAR
Found 26 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)
BDBM50005854
PNG
(1-(4-Azetidin-1-yl-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES O=C1CCCN1CC#CCN1CCC1
Show InChI InChI=1S/C11H16N2O/c14-11-5-3-10-13(11)9-2-1-6-12-7-4-8-12/h3-10H2
PDB

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27.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


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


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
PDB

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84n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


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


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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196n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


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


(RAT)
BDBM50455987
PNG
(CHEMBL2115360)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCCN1
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1
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636n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50005851
PNG
(1-[4-(Ethyl-methyl-amino)-but-2-ynyl]-pyrrolidin-2...)
Show SMILES CCN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H18N2O/c1-3-12(2)8-4-5-9-13-10-6-7-11(13)14/h3,6-10H2,1-2H3
PDB

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813n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


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


(RAT)
BDBM50005856
PNG
(1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES CN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3
PDB

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926n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Muscarinic acetylcholine receptor M2 in rat brainstem


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


(RAT)
BDBM50455986
PNG
(CHEMBL2115361)
Show SMILES CN1CCCC[C@@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50005854
PNG
(1-(4-Azetidin-1-yl-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES O=C1CCCN1CC#CCN1CCC1
Show InChI InChI=1S/C11H16N2O/c14-11-5-3-10-13(11)9-2-1-6-12-7-4-8-12/h3-10H2
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2.25E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


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


(RAT)
BDBM50455988
PNG
(CHEMBL2115359)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCN1
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m0/s1
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2.46E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50005851
PNG
(1-[4-(Ethyl-methyl-amino)-but-2-ynyl]-pyrrolidin-2...)
Show SMILES CCN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H18N2O/c1-3-12(2)8-4-5-9-13-10-6-7-11(13)14/h3,6-10H2,1-2H3
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2.69E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


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


(RAT)
BDBM50455987
PNG
(CHEMBL2115360)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCCN1
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1
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3.03E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50455988
PNG
(CHEMBL2115359)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCN1
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m0/s1
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3.07E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50455986
PNG
(CHEMBL2115361)
Show SMILES CN1CCCC[C@@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m1/s1
PDB

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3.66E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50455982
PNG
(CHEMBL2114427)
Show SMILES CN1CCCC[C@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m0/s1
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5.38E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50455985
PNG
(CHEMBL2115362)
Show SMILES CN1CCC[C@@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m0/s1
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5.46E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50455983
PNG
(CHEMBL2114425)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCN1
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m1/s1
PDB

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5.64E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50455985
PNG
(CHEMBL2115362)
Show SMILES CN1CCC[C@@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m0/s1
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5.86E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50455982
PNG
(CHEMBL2114427)
Show SMILES CN1CCCC[C@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m0/s1
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7.06E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50455984
PNG
(CHEMBL2114430)
Show SMILES CN1CCC[C@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m1/s1
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1.05E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50455984
PNG
(CHEMBL2114430)
Show SMILES CN1CCC[C@H]1CC#CCN1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m1/s1
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1.08E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50455981
PNG
(CHEMBL2114426)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCCN1
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


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


(RAT)
BDBM50005856
PNG
(1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES CN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3
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1.59E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Muscarinic acetylcholine receptor M1 in rat cortex


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


(RAT)
BDBM50455981
PNG
(CHEMBL2114426)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCCN1
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m0/s1
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2.76E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50005855
PNG
(1-(4-Methylamino-but-2-ynyl)-pyrrolidin-2-one | CH...)
Show SMILES CNCC#CCN1CCCC1=O
Show InChI InChI=1S/C9H14N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,4-8H2,1H3
PDB

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3.81E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


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


(RAT)
BDBM50455983
PNG
(CHEMBL2114425)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCN1
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m1/s1
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4.05E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


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


(RAT)
BDBM50005855
PNG
(1-(4-Methylamino-but-2-ynyl)-pyrrolidin-2-one | CH...)
Show SMILES CNCC#CCN1CCCC1=O
Show InChI InChI=1S/C9H14N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,4-8H2,1H3
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6.55E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


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