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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50041010   
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 M1


(RAT)		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.398n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.398n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.513n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation of antagonistic affinity against muscarinic receptor (M2) in guinea pig left atria

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.589n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50403484
PNG
(CHEMBL306182)
Show SMILES C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24NO3/c1-22(2)15-13-20(14-16-22)24-19(23)21(25-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
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 2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50403484
PNG
(CHEMBL306182)
Show SMILES C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24NO3/c1-22(2)15-13-20(14-16-22)24-19(23)21(25-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
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 3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Muscarinic acetylcholine receptor M4 in NG 108-15 cell homogenates

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Muscarinic acetylcholine receptor M4 in NG 108-15 cell homogenates

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50403484
PNG
(CHEMBL306182)
Show SMILES C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24NO3/c1-22(2)15-13-20(14-16-22)24-19(23)21(25-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
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 5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation of antagonistic affinity against muscarinic receptor (M3) in guinea pig ileum

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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 6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 10.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50403484
PNG
(CHEMBL306182)
Show SMILES C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24NO3/c1-22(2)15-13-20(14-16-22)24-19(23)21(25-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
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 11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic acetylcholine receptor M4 in NG 108-15 Cell

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50403485
PNG
(CHEMBL292857)
Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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 35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation of antagonistic affinity against muscarinic receptor (M3) in guinea pig ileum

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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 174n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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Article
 794n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation of antagonistic affinity against muscarinic receptor (M3) in guinea pig ileum

Bioorg Med Chem Lett 5: 2325-2330 (1995)


Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2
More data for this
Ligand-Target Pair