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PubMed code 1732545

Compile data set for download or QSAR
Found 27 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 acetylcholine receptor


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1S/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
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56n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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64n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230004
PNG
(CHEMBL101645)
Show SMILES O=C1CCCN1C(C#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-11-7-15-20(18)17(16-8-2-1-3-9-16)10-6-14-19-12-4-5-13-19/h1-3,8-9,17H,4-5,7,11-15H2
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110n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230009
PNG
(CHEMBL97915)
Show SMILES O=C1CCC(=O)N1C(C#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O2/c21-17-10-11-18(22)20(17)16(15-7-2-1-3-8-15)9-6-14-19-12-4-5-13-19/h1-3,7-8,16H,4-5,10-14H2
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120n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230006
PNG
(CHEMBL99266)
Show SMILES CN(C(C#CCN1CCCC1)c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-21(16(23)17(18,19)20)15(14-8-3-2-4-9-14)10-7-13-22-11-5-6-12-22/h2-4,8-9,15H,5-6,11-13H2,1H3
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230n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230011
PNG
(CHEMBL100406)
Show SMILES CN(C(C#CCN1CCCC1)c1ccccc1)C(C)=O
Show InChI InChI=1S/C17H22N2O/c1-15(20)18(2)17(16-9-4-3-5-10-16)11-8-14-19-12-6-7-13-19/h3-5,9-10,17H,6-7,12-14H2,1-2H3
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310n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230002
PNG
(CHEMBL318049)
Show SMILES O=C1CCC(N1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-11-10-17(16-8-2-1-3-9-16)20(18)15-7-6-14-19-12-4-5-13-19/h1-3,8-9,17H,4-5,10-15H2
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540n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230010
PNG
(CHEMBL319665)
Show SMILES CC(=O)N(CC#CCN1CCCC1)Cc1ccccc1
Show InChI InChI=1S/C17H22N2O/c1-16(20)19(15-17-9-3-2-4-10-17)14-8-7-13-18-11-5-6-12-18/h2-4,9-10H,5-6,11-15H2,1H3
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1.29E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230003
PNG
(CHEMBL97890)
Show SMILES O=C1CCCN1CC#CCN1CCC(C1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-9-6-13-20(18)12-5-4-11-19-14-10-17(15-19)16-7-2-1-3-8-16/h1-3,7-8,17H,6,9-15H2
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2.40E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230000
PNG
(CHEMBL99265)
Show SMILES CN(CC#CCN1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H22N2O/c1-18(11-5-6-12-19-13-7-8-14-19)17(20)15-16-9-3-2-4-10-16/h2-4,9-10H,7-8,11-15H2,1H3
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5.20E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230008
PNG
(CHEMBL318528)
Show SMILES O=C1CC(CN1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-14-17(16-8-2-1-3-9-16)15-20(18)13-7-6-12-19-10-4-5-11-19/h1-3,8-9,17H,4-5,10-15H2
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5.77E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230007
PNG
(CHEMBL101646)
Show SMILES O=C1C(CCN1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-17(16-8-2-1-3-9-16)10-15-20(18)14-7-6-13-19-11-4-5-12-19/h1-3,8-9,17H,4-5,10-15H2
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6.91E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230003
PNG
(CHEMBL97890)
Show SMILES O=C1CCCN1CC#CCN1CCC(C1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-9-6-13-20(18)12-5-4-11-19-14-10-17(15-19)16-7-2-1-3-8-16/h1-3,7-8,17H,6,9-15H2
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n/an/an/a 8.10E+3n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230009
PNG
(CHEMBL97915)
Show SMILES O=C1CCC(=O)N1C(C#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O2/c21-17-10-11-18(22)20(17)16(15-7-2-1-3-8-15)9-6-14-19-12-4-5-13-19/h1-3,7-8,16H,4-5,10-14H2
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n/an/an/a 100n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230010
PNG
(CHEMBL319665)
Show SMILES CC(=O)N(CC#CCN1CCCC1)Cc1ccccc1
Show InChI InChI=1S/C17H22N2O/c1-16(20)19(15-17-9-3-2-4-10-17)14-8-7-13-18-11-5-6-12-18/h2-4,9-10H,5-6,11-15H2,1H3
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n/an/an/a 5.89E+3n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/an/a 0.900n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230000
PNG
(CHEMBL99265)
Show SMILES CN(CC#CCN1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H22N2O/c1-18(11-5-6-12-19-13-7-8-14-19)17(20)15-16-9-3-2-4-10-16/h2-4,9-10H,7-8,11-15H2,1H3
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n/an/an/a 2.05E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230011
PNG
(CHEMBL100406)
Show SMILES CN(C(C#CCN1CCCC1)c1ccccc1)C(C)=O
Show InChI InChI=1S/C17H22N2O/c1-15(20)18(2)17(16-9-4-3-5-10-16)11-8-14-19-12-6-7-13-19/h3-5,9-10,17H,6-7,12-14H2,1-2H3
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n/an/an/a 620n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230002
PNG
(CHEMBL318049)
Show SMILES O=C1CCC(N1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-11-10-17(16-8-2-1-3-9-16)20(18)15-7-6-14-19-12-4-5-13-19/h1-3,8-9,17H,4-5,10-15H2
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n/an/an/a 850n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230007
PNG
(CHEMBL101646)
Show SMILES O=C1C(CCN1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-17(16-8-2-1-3-9-16)10-15-20(18)14-7-6-13-19-11-4-5-12-19/h1-3,8-9,17H,4-5,10-15H2
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n/an/an/a 1.12E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50004726
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3
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n/an/an/a 91n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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n/an/an/a 240n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1S/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
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n/an/an/a 93n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50227330
PNG
(CHEMBL420268)
Show SMILES CC(C#CCN1CCCC1)N1C(=O)CCC1=O
Show InChI InChI=1S/C13H18N2O2/c1-11(15-12(16)6-7-13(15)17)5-4-10-14-8-2-3-9-14/h11H,2-3,6-10H2,1H3
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n/an/an/a 150n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230008
PNG
(CHEMBL318528)
Show SMILES O=C1CC(CN1CC#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-14-17(16-8-2-1-3-9-16)15-20(18)13-7-6-12-19-10-4-5-11-19/h1-3,8-9,17H,4-5,10-15H2
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Article
PubMed
n/an/an/a 1.52E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230004
PNG
(CHEMBL101645)
Show SMILES O=C1CCCN1C(C#CCN1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c21-18-11-7-15-20(18)17(16-8-2-1-3-9-16)10-6-14-19-12-4-5-13-19/h1-3,8-9,17H,4-5,7,11-15H2
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PubMed
n/an/an/a 200n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50230006
PNG
(CHEMBL99266)
Show SMILES CN(C(C#CCN1CCCC1)c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-21(16(23)17(18,19)20)15(14-8-3-2-4-9-14)10-7-13-22-11-5-6-12-22/h2-4,8-9,15H,5-6,11-13H2,1H3
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Article
PubMed
n/an/an/a 500n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%