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Compile Data Set for Download or QSAR

Found 21 hits of ki for monomerid = 50173097   
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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28n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT1B receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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345n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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382n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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614n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT2A receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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2.83E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT2C receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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2.86E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT6 receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D4


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D2


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Opioid receptor mu 1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Histamine H1 receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT7 receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D5


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D3


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Opioid receptor delta 1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50173097
PNG
(4-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H30F3N5O2/c1-29-9-11-31(12-10-29)21-17-19(5-8-22(21)34-2)28-23(33)32-15-13-30(14-16-32)20-6-3-18(4-7-20)24(25,26)27/h3-8,17H,9-16H2,1-2H3,(H,28,33)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair