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5 similar compounds to monomer 50223995

Compile data set for download or QSAR
Wt: 370.5
BDBM50223985
Wt: 370.5
BDBM50223986
Wt: 371.5
BDBM50223990
Wt: 356.4
BDBM50223992
Wt: 385.5
BDBM50223993

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50223985,50223986,50223990,50223992,50223993   
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 M2


(Homo sapiens (Human))
BDBM50223992
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 38.2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223992
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 48.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223985
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3
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n/an/a 117n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223986
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (5-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(C)s1)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-8-11-20(26-15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-9-10-18(13-19)22(17)2/h3-8,11,17-19H,9-10,12-14H2,1-2H3
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n/an/a 518n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223990
PNG
(8,8-dimethyl-3-(phenyl-thiophen-2-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(15-20-9-6-12-26-20)16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 2.40n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223993
PNG
(8,8-dimethyl-3-[(3-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1
Show InChI InChI=1S/C22H29N2O2S/c1-16-11-12-27-21(16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 6.40n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223992
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 20.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223985
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3
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n/an/a 191n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223990
PNG
(8,8-dimethyl-3-(phenyl-thiophen-2-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(15-20-9-6-12-26-20)16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 12.5n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223986
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (5-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(C)s1)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-8-11-20(26-15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-9-10-18(13-19)22(17)2/h3-8,11,17-19H,9-10,12-14H2,1-2H3
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n/an/a 262n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223993
PNG
(8,8-dimethyl-3-[(3-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1
Show InChI InChI=1S/C22H29N2O2S/c1-16-11-12-27-21(16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 34.7n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223986
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (5-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(C)s1)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-8-11-20(26-15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-9-10-18(13-19)22(17)2/h3-8,11,17-19H,9-10,12-14H2,1-2H3
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n/an/a 410n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223993
PNG
(8,8-dimethyl-3-[(3-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1
Show InChI InChI=1S/C22H29N2O2S/c1-16-11-12-27-21(16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223985
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3
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n/an/a 108n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223990
PNG
(8,8-dimethyl-3-(phenyl-thiophen-2-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(15-20-9-6-12-26-20)16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 2.30n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair