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8 similar compounds to monomer 50173090

Compile data set for download or QSAR
Wt: 427.5
BDBM50173092
Wt: 485.6
BDBM50173096
Wt: 439.5
BDBM50173098
Wt: 423.5
BDBM50290914
Wt: 437.5
BDBM50290915
Wt: 439.5
BDBM50290918
Wt: 439.5
BDBM50290919
Wt: 409.5
BDBM50290922

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 83 hits for monomerid = 50173092,50173096,50173098,50290914,50290915,50290918,50290919,50290922   
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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2n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 1B 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 1B


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290914
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid [4-methoxy-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2/c1-19-6-4-5-7-21(19)27-14-16-29(17-15-27)24(30)25-20-8-9-23(31-3)22(18-20)28-12-10-26(2)11-13-28/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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6.5n/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 1B


(Homo sapiens (Human))
BDBM50290918
PNG
(4-(3-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-9-11-28(12-10-26)22-17-19(7-8-23(22)32-3)25-24(30)29-15-13-27(14-16-29)20-5-4-6-21(18-20)31-2/h4-8,17-18H,9-16H2,1-3H3,(H,25,30)
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290919
PNG
(4-(4-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)32-3)25-24(30)29-16-14-27(15-17-29)20-5-7-21(31-2)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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12n/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 1B


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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14n/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 1B


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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18n/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 1B


(Homo sapiens (Human))
BDBM50290922
PNG
(4-Phenyl-piperazine-1-carboxylic acid [4-methoxy-3...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H31N5O2/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,24,29)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290914
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid [4-methoxy-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2/c1-19-6-4-5-7-21(19)27-14-16-29(17-15-27)24(30)25-20-8-9-23(31-3)22(18-20)28-12-10-26(2)11-13-28/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290918
PNG
(4-(3-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-9-11-28(12-10-26)22-17-19(7-8-23(22)32-3)25-24(30)29-15-13-27(14-16-29)20-5-4-6-21(18-20)31-2/h4-8,17-18H,9-16H2,1-3H3,(H,25,30)
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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50290918
PNG
(4-(3-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-9-11-28(12-10-26)22-17-19(7-8-23(22)32-3)25-24(30)29-15-13-27(14-16-29)20-5-4-6-21(18-20)31-2/h4-8,17-18H,9-16H2,1-3H3,(H,25,30)
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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103n/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 1D


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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106n/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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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171n/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 1D


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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209n/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 1D


(Homo sapiens (Human))
BDBM50290919
PNG
(4-(4-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)32-3)25-24(30)29-16-14-27(15-17-29)20-5-7-21(31-2)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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315n/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 1D


(Homo sapiens (Human))
BDBM50290922
PNG
(4-Phenyl-piperazine-1-carboxylic acid [4-methoxy-3...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H31N5O2/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,24,29)
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50290914
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid [4-methoxy-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2/c1-19-6-4-5-7-21(19)27-14-16-29(17-15-27)24(30)25-20-8-9-23(31-3)22(18-20)28-12-10-26(2)11-13-28/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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393n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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405n/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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50290922
PNG
(4-Phenyl-piperazine-1-carboxylic acid [4-methoxy-3...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H31N5O2/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,24,29)
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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641n/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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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841n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50290919
PNG
(4-(4-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)32-3)25-24(30)29-16-14-27(15-17-29)20-5-7-21(31-2)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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1.08E+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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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1.41E+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-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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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1.43E+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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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1.94E+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 (5-HT6)


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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2.41E+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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
MMDB

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6.74E+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-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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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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 M1


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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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
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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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 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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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))
BDBM50173092
PNG
(4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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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 M4


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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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
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