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PubMed code 8182702

Compile data set for download or QSAR
Found 14 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
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368857
PNG
(CHEMBL1202147)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
Show InChI InChI=1S/C22H22Cl2N4O2/c23-21-3-1-4-22(24)20(21)17-30-26-16-19-7-13-28(14-8-19)10-2-9-27-11-5-18(6-12-27)15-25-29/h1,3-8,11-14,16H,2,9-10,15,17H2/q+2/b26-16+
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368854
PNG
(CHEMBL1202148)
Show SMILES C[N+](C)=c1ccn(CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C23H26Cl2N4O/c1-27(2)20-9-15-29(16-10-20)12-4-11-28-13-7-19(8-14-28)17-26-30-18-21-22(24)5-3-6-23(21)25/h3,5-10,13-17H,4,11-12,18H2,1-2H3/q+2/b26-17+
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n/an/an/an/a 4.20E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368855
PNG
(CHEMBL539621)
Show SMILES CC[N+](CC)(CC)CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C22H31Cl2N3O/c1-4-27(5-2,6-3)16-8-13-26-14-11-19(12-15-26)17-25-28-18-20-21(23)9-7-10-22(20)24/h7,9-12,14-15,17H,4-6,8,13,16,18H2,1-3H3/q+2/b25-17+
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n/an/an/an/a 2.30E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368859
PNG
(CHEMBL1202150)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H20Cl2N4O/c23-21-3-1-4-22(24)20(21)17-29-26-16-19-7-13-28(14-8-19)10-2-9-27-11-5-18(15-25)6-12-27/h1,3-8,11-14,16H,2,9-10,17H2/q+2/b26-16+
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n/an/an/an/a 1.70E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368860
PNG
(CHEMBL1202149)
Show SMILES Cc1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C22H23Cl2N3O/c1-18-6-12-26(13-7-18)10-3-11-27-14-8-19(9-15-27)16-25-28-17-20-21(23)4-2-5-22(20)24/h2,4-9,12-16H,3,10-11,17H2,1H3/q+2/b25-16+
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368858
PNG
(CHEMBL1202151)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccccc2)cc1
Show InChI InChI=1S/C21H21Cl2N3O/c22-20-6-4-7-21(23)19(20)17-27-24-16-18-8-14-26(15-9-18)13-5-12-25-10-2-1-3-11-25/h1-4,6-11,14-16H,5,12-13,17H2/q+2/b24-16+
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n/an/an/an/a 2.10E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50307921
PNG
((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+
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n/an/an/an/a 4.70E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50041520
PNG
(1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...)
Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50041525
PNG
(4-[(2,6-Dichloro-benzyloxyimino)-methyl]-1-propyl-...)
Show SMILES CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C16H17Cl2N2O/c1-2-8-20-9-6-13(7-10-20)11-19-21-12-14-15(17)4-3-5-16(14)18/h3-7,9-11H,2,8,12H2,1H3/q+1/b19-11+
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n/an/an/an/a 2.60E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50041516
PNG
(CHEMBL33595 | derivative of bispyridinium oxime(M-...)
Show SMILES CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OC)cc2)cc1
Show InChI InChI=1S/C17H22N4O2/c1-22-18-14-16-4-10-20(11-5-16)8-3-9-21-12-6-17(7-13-21)15-19-23-2/h4-7,10-15H,3,8-9H2,1-2H3/q+2/b18-14+,19-15+
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50368856
PNG
(CHEMBL1202152)
Show SMILES C[N+](C)(C)CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C19H25Cl2N3O/c1-24(2,3)13-5-10-23-11-8-16(9-12-23)14-22-25-15-17-18(20)6-4-7-19(17)21/h4,6-9,11-12,14H,5,10,13,15H2,1-3H3/q+2/b22-14+
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n/an/an/an/a 2.50E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50041518
PNG
(4-((E)-{[(2,6-dichlorobenzyl)oxy]imino}methyl)-1-p...)
Show SMILES CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C23H24Cl2N4O2/c1-30-26-16-19-6-12-28(13-7-19)10-3-11-29-14-8-20(9-15-29)17-27-31-18-21-22(24)4-2-5-23(21)25/h2,4-9,12-17H,3,10-11,18H2,1H3/q+2/b26-16+,27-17+
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n/an/an/an/a 4.50E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50041524
PNG
(4-[(2,6-Dichloro-benzyloxyimino)-methyl]-1-[3-(4-m...)
Show SMILES COc1ccc(CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C23H23Cl2N2O2/c1-28-20-9-7-18(8-10-20)4-3-13-27-14-11-19(12-15-27)16-26-29-17-21-22(24)5-2-6-23(21)25/h2,5-12,14-16H,3-4,13,17H2,1H3/q+1/b26-16+
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50041517
PNG
(4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+
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n/an/an/an/a 9.40E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart


J Med Chem 37: 1439-45 (1994)


Article DOI: 10.1021/jm00036a008
BindingDB Entry DOI: 10.7270/Q22F7P30
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%