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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50027337   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275558
PNG
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36)
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n/an/a 1.10E+3n/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))
BDBM50275559
PNG
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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n/an/a 1.90E+3n/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))
BDBM50275505
PNG
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 2.30E+3n/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))
BDBM50275557
PNG
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)
Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 2.70E+3n/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))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 3.60E+3n/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))
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/a 5.10E+3n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275560
PNG
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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))
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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50275588
PNG
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)
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n/an/an/an/a 9.10n/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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a>5.00E+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))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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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))
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))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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
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
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50275505
PNG
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 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))
BDBM50275557
PNG
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)
Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50275558
PNG
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36)
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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))
BDBM50275559
PNG
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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))
BDBM50275560
PNG
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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))
BDBM50275588
PNG
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)
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n/an/an/an/a 34.3n/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


(Homo sapiens (Human))
BDBM50275588
PNG
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)
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n/an/an/an/a 2.10E+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 M2


(Homo sapiens (Human))
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a>5.00E+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))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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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))
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))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 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 M2


(Homo sapiens (Human))
BDBM50275505
PNG
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 M2


(Homo sapiens (Human))
BDBM50275557
PNG
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)
Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 M2


(Homo sapiens (Human))
BDBM50275558
PNG
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36)
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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))
BDBM50275559
PNG
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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))
BDBM50275560
PNG
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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))
BDBM50275588
PNG
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)
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n/an/an/an/a 11.9n/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 M3


(Homo sapiens (Human))
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a>5.00E+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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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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
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 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 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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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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275505
PNG
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 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 M3


(Homo sapiens (Human))
BDBM50275557
PNG
(5-bromo-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-...)
Show SMILES Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27BrN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 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 M3


(Homo sapiens (Human))
BDBM50275558
PNG
(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H27F4N5O2S/c26-20-5-2-6-21-22(20)31-24(36)34(21)18-9-11-32(12-10-18)17-7-13-33(14-8-17)23(35)30-16-3-1-4-19(15-16)37-25(27,28)29/h1-6,15,17-18H,7-14H2,(H,30,35)(H,31,36)
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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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275559
PNG
(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
Show InChI InChI=1S/C25H27F4N5O2S/c26-16-4-5-21-22(14-16)34(24(36)31-21)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275560
PNG
(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
Show InChI InChI=1S/C25H27ClF3N5O2S/c26-16-4-5-22-21(14-16)31-24(36)34(22)19-8-10-32(11-9-19)18-6-12-33(13-7-18)23(35)30-17-2-1-3-20(15-17)37-25(27,28)29/h1-5,14-15,18-19H,6-13H2,(H,30,35)(H,31,36)
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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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275588
PNG
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)
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n/an/an/an/a 113n/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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a>5.00E+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))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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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))
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))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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 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 M4


(Homo sapiens (Human))
BDBM50275505
PNG
(5-chloro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27ClN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)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
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