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6 similar compounds to monomer 50201295

Compile data set for download or QSAR
Wt: 360.8
BDBM50201279
Wt: 340.4
BDBM50201281
Wt: 356.4
BDBM50201288
Wt: 326.4
BDBM50201289
Wt: 340.4
BDBM50201290
Wt: 368.5
BDBM50201293

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50201279,50201281,50201288,50201289,50201290,50201293   
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 M3


(Homo sapiens (Human))
BDBM50201281
PNG
(CHEMBL234253 | dimethyl-{3-[(2-p-tolyl-ethylamino)...)
Show SMILES CN(C)C1(CNCCc2ccc(C)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C21H28N2O2/c1-17-8-10-18(11-9-17)12-13-22-14-21(23(2)3)15-24-19-6-4-5-7-20(19)25-16-21/h4-11,22H,12-16H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50201279
PNG
(3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,...)
Show SMILES CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)20(13-22-12-11-16-7-9-17(21)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-10,22H,11-15H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50201289
PNG
(CHEMBL234252 | N,N-dimethyl-3-((phenethylamino)met...)
Show SMILES CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H26N2O2/c1-22(2)20(14-21-13-12-17-8-4-3-5-9-17)15-23-18-10-6-7-11-19(18)24-16-20/h3-11,21H,12-16H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50201293
PNG
(3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl...)
Show SMILES CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
Show InChI InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3
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44n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50201281
PNG
(CHEMBL234253 | dimethyl-{3-[(2-p-tolyl-ethylamino)...)
Show SMILES CN(C)C1(CNCCc2ccc(C)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C21H28N2O2/c1-17-8-10-18(11-9-17)12-13-22-14-21(23(2)3)15-24-19-6-4-5-7-20(19)25-16-21/h4-11,22H,12-16H2,1-3H3
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48n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50201279
PNG
(3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,...)
Show SMILES CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)20(13-22-12-11-16-7-9-17(21)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-10,22H,11-15H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50201293
PNG
(3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl...)
Show SMILES CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
Show InChI InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3
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56n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50201289
PNG
(CHEMBL234252 | N,N-dimethyl-3-((phenethylamino)met...)
Show SMILES CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H26N2O2/c1-22(2)20(14-21-13-12-17-8-4-3-5-9-17)15-23-18-10-6-7-11-19(18)24-16-20/h3-11,21H,12-16H2,1-2H3
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90n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50201293
PNG
(3-((4-isopropylphenethylamino)methyl)-N,N-dimethyl...)
Show SMILES CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
Show InChI InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3
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200n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50201281
PNG
(CHEMBL234253 | dimethyl-{3-[(2-p-tolyl-ethylamino)...)
Show SMILES CN(C)C1(CNCCc2ccc(C)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C21H28N2O2/c1-17-8-10-18(11-9-17)12-13-22-14-21(23(2)3)15-24-19-6-4-5-7-20(19)25-16-21/h4-11,22H,12-16H2,1-3H3
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220n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50201289
PNG
(CHEMBL234252 | N,N-dimethyl-3-((phenethylamino)met...)
Show SMILES CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H26N2O2/c1-22(2)20(14-21-13-12-17-8-4-3-5-9-17)15-23-18-10-6-7-11-19(18)24-16-20/h3-11,21H,12-16H2,1-2H3
UniProtKB/SwissProt

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220n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50201279
PNG
(3-((4-chlorophenethylamino)methyl)-N,N-dimethyl-3,...)
Show SMILES CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)20(13-22-12-11-16-7-9-17(21)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-10,22H,11-15H2,1-2H3
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260n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50201290
PNG
(CHEMBL435158 | N,N-dimethyl-3-((methyl(phenethyl)a...)
Show SMILES CN(CCc1ccccc1)CC1(COc2ccccc2OC1)N(C)C
Show InChI InChI=1S/C21H28N2O2/c1-22(2)21(15-23(3)14-13-18-9-5-4-6-10-18)16-24-19-11-7-8-12-20(19)25-17-21/h4-12H,13-17H2,1-3H3
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n/an/a>100n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50201288
PNG
(3-((4-methoxyphenethylamino)methyl)-N,N-dimethyl-3...)
Show SMILES COc1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
Show InChI InChI=1S/C21H28N2O3/c1-23(2)21(15-25-19-6-4-5-7-20(19)26-16-21)14-22-13-12-17-8-10-18(24-3)11-9-17/h4-11,22H,12-16H2,1-3H3
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n/an/a>100n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 925-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.058
BindingDB Entry DOI: 10.7270/Q2DB81HZ
More data for this
Ligand-Target Pair