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PubMed code 16143528

Compile Data Set for Download or QSAR

Found 213 hits of Enzyme Inhibition Constant Data   
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))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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0.140n/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 1B receptor


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


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


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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0.700n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173091
PNG
(4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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1.80n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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4.30n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173091
PNG
(4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173093
PNG
(1-(2-Methoxy-phenyl)-piperidine-4-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C25H34N4O3/c1-27-14-16-29(17-15-27)22-18-20(8-9-24(22)32-3)26-25(30)19-10-12-28(13-11-19)21-6-4-5-7-23(21)31-2/h4-9,18-19H,10-17H2,1-3H3,(H,26,30)
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9.70n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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10n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173095
PNG
(4-(2-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/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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11n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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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
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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173093
PNG
(1-(2-Methoxy-phenyl)-piperidine-4-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C25H34N4O3/c1-27-14-16-29(17-15-27)22-18-20(8-9-24(22)32-3)26-25(30)19-10-12-28(13-11-19)21-6-4-5-7-23(21)31-2/h4-9,18-19H,10-17H2,1-3H3,(H,26,30)
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15n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173093
PNG
(1-(2-Methoxy-phenyl)-piperidine-4-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C25H34N4O3/c1-27-14-16-29(17-15-27)22-18-20(8-9-24(22)32-3)26-25(30)19-10-12-28(13-11-19)21-6-4-5-7-23(21)31-2/h4-9,18-19H,10-17H2,1-3H3,(H,26,30)
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15n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173094
PNG
(4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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17n/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
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173095
PNG
(4-(2-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/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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35n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173090
PNG
(4-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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38n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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43n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173091
PNG
(4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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53n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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70n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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80n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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105n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173090
PNG
(4-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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168n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173091
PNG
(4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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267n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173094
PNG
(4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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329n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173095
PNG
(4-(2-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/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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335n/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
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50173095
PNG
(4-(2-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/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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342n/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50173095
PNG
(4-(2-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/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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469n/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
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
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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173094
PNG
(4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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882n/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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50173091
PNG
(4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
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1.01E+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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50173090
PNG
(4-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/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
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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173094
PNG
(4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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1.15E+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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173095
PNG
(4-(2-Chloro-phenyl)-piperazine-1-carboxylic acid [...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H30ClN5O2/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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1.24E+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
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50173094
PNG
(4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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1.34E+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
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
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%