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3 similar compounds to monomer 50275379

Compile data set for download or QSAR
Wt: 537.5
BDBM50275558
Wt: 537.5
BDBM50275559
Wt: 554.0
BDBM50275560

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50275558,50275559,50275560   
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))
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


(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 3.60E+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 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
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))
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
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 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 M4


(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 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))
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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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))
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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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))
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>1.00E+4n/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))
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 9.60E+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 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