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3 similar compounds to monomer 50275503

Compile data set for download or QSAR
Wt: 458.5
BDBM50275502
Wt: 458.5
BDBM50275504
Wt: 440.5
BDBM50275345

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50275502,50275504,50275345   
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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50275502
PNG
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50275504
PNG
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275502
PNG
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275504
PNG
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50275502
PNG
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50275504
PNG
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50275504
PNG
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275504
PNG
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50275502
PNG
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50275504
PNG
(6-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-21-22(16-17)28(23(29)25-21)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50275345
PNG
(1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H28N4O3S/c28-23-24-21-8-4-5-9-22(21)27(23)19-10-14-25(15-11-19)18-12-16-26(17-13-18)31(29,30)20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,24,28)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50275502
PNG
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275502
PNG
(4-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27FN4O3S/c24-20-7-4-8-21-22(20)25-23(29)28(21)18-9-13-26(14-10-18)17-11-15-27(16-12-17)32(30,31)19-5-2-1-3-6-19/h1-8,17-18H,9-16H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair