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15 similar compounds to monomer 50056378

Compile data set for download or QSAR
Wt: 470.6
BDBM50056361
Wt: 431.5
BDBM50056362
Wt: 444.6
BDBM50056364
Wt: 535.7
BDBM50056366
Wt: 429.6
BDBM50056369
Wt: 458.6
BDBM50056370
Wt: 485.6
BDBM50056382
Wt: 431.5
BDBM50056384
Wt: 471.6
BDBM50088686
Wt: 474.6
BDBM50088690
Wt: 473.6
BDBM50088693
Wt: 459.6
BDBM50088696
Wt: 430.5
BDBM50330446
Wt: 480.6
BDBM50330460
Wt: 530.7
BDBM50330468

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50056361,50056362,50056364,50056366,50056369,50056370,50056382,50056384,50088686,50088690,50088693,50088696,50330446,50330460,50330468   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088696
PNG
(3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperaz...)
Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C22H29N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15H,3,6,9-14,23H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088686
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H29N5O2S2/c1-30-18-8-3-2-7-17(18)27-13-11-26(12-14-27)10-5-15-31-23-25-21-20(22(29)28(23)24)16-6-4-9-19(16)32-21/h2-3,7-8H,4-6,9-15,24H2,1H3
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0.260n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056384
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1
Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3
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0.650n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088693
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C23H31N5O2S2/c1-3-7-17-16-18-21(32-17)25-23(28(24)22(18)29)31-15-6-10-26-11-13-27(14-12-26)19-8-4-5-9-20(19)30-2/h4-5,8-9,16H,3,6-7,10-15,24H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088690
PNG
(3-Amino-5,6-dimethyl-2-{3-[4-(2-nitro-phenyl)-pipe...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c(=O)c2c1C
Show InChI InChI=1S/C21H26N6O3S2/c1-14-15(2)32-19-18(14)20(28)26(22)21(23-19)31-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-17(16)27(29)30/h3-4,6-7H,5,8-13,22H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50056384
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1
Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088686
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H29N5O2S2/c1-30-18-8-3-2-7-17(18)27-13-11-26(12-14-27)10-5-15-31-23-25-21-20(22(29)28(23)24)16-6-4-9-19(16)32-21/h2-3,7-8H,4-6,9-15,24H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088693
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C23H31N5O2S2/c1-3-7-17-16-18-21(32-17)25-23(28(24)22(18)29)31-15-6-10-26-11-13-27(14-12-26)19-8-4-5-9-20(19)30-2/h4-5,8-9,16H,3,6-7,10-15,24H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088696
PNG
(3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperaz...)
Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
Show InChI InChI=1S/C22H29N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15H,3,6,9-14,23H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088690
PNG
(3-Amino-5,6-dimethyl-2-{3-[4-(2-nitro-phenyl)-pipe...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c(=O)c2c1C
Show InChI InChI=1S/C21H26N6O3S2/c1-14-15(2)32-19-18(14)20(28)26(22)21(23-19)31-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-17(16)27(29)30/h3-4,6-7H,5,8-13,22H2,1-2H3
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123n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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434n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes


Bioorg Med Chem Lett 10: 1089-92 (2000)


Article DOI: 10.1016/s0960-894x(00)00165-7
BindingDB Entry DOI: 10.7270/Q25D8R2B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056382
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)n2N)CC1
Show InChI InChI=1S/C24H31N5O2S2/c1-31-19-9-4-3-8-18(19)28-14-12-27(13-15-28)11-6-16-32-24-26-22-21(23(30)29(24)25)17-7-2-5-10-20(17)33-22/h3-4,8-9H,2,5-7,10-16,25H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50330446
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)26(21)20(23-18)28-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-22-16/h3-4,6-7H,5,8-13,21H2,1-2H3
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n/an/a 4.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50330460
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H28N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h3-4,6-9H,5,10-15,25H2,1-2H3
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n/an/a 36.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330460
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H28N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h3-4,6-9H,5,10-15,25H2,1-2H3
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n/an/a 48.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50330468
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-phenanthridin-6-ylpip...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C
Show InChI InChI=1S/C28H30N6OS2/c1-18-19(2)37-26-24(18)27(35)34(29)28(31-26)36-17-7-12-32-13-15-33(16-14-32)25-22-10-4-3-8-20(22)21-9-5-6-11-23(21)30-25/h3-6,8-11H,7,12-17,29H2,1-2H3
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n/an/a 55.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330446
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)26(21)20(23-18)28-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-22-16/h3-4,6-7H,5,8-13,21H2,1-2H3
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n/an/a>100n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056384
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1
Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056366
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2Nc2ccccc2)CC1
Show InChI InChI=1S/C28H33N5O2S2/c1-20-21(2)37-26-25(20)27(34)33(30-22-10-5-4-6-11-22)28(29-26)36-19-9-14-31-15-17-32(18-16-31)23-12-7-8-13-24(23)35-3/h4-8,10-13,30H,9,14-19H2,1-3H3
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n/an/a 497n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056369
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-phenyl-piperazin-1-yl...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C21H27N5OS2/c1-15-16(2)29-19-18(15)20(27)26(22)21(23-19)28-14-6-9-24-10-12-25(13-11-24)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14,22H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056364
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H28N4O2S2/c1-15-16(2)30-21-19(15)20(27)23-22(24-21)29-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)28-3/h4-5,7-8H,6,9-14H2,1-3H3,(H,23,24,27)
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n/an/a 24n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against radioligand [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in pig cortical mem...


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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n/an/a 6.80n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056370
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2C)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-16-17(2)31-21-20(16)22(28)25(3)23(24-21)30-15-7-10-26-11-13-27(14-12-26)18-8-5-6-9-19(18)29-4/h5-6,8-9H,7,10-15H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against radioligand [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membrane


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against radioligand [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cortical memb...


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against radioligand [3H]-BRL-43694 binding to 5-hydroxytryptamine 3 receptor in rat cortical membra...


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330468
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-phenanthridin-6-ylpip...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C
Show InChI InChI=1S/C28H30N6OS2/c1-18-19(2)37-26-24(18)27(35)34(29)28(31-26)36-17-7-12-32-13-15-33(16-14-32)25-22-10-4-3-8-20(22)21-9-5-6-11-23(21)30-25/h3-6,8-11H,7,12-17,29H2,1-2H3
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n/an/a>100n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056361
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O2S2/c1-30-19-9-4-3-8-18(19)28-14-12-27(13-15-28)11-6-16-31-24-25-22(29)21-17-7-2-5-10-20(17)32-23(21)26-24/h3-4,8-9H,2,5-7,10-16H2,1H3,(H,25,26,29)
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n/an/a 59n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50056362
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against radioligand [3H]-SCH-23,390 binding to Dopamine receptor D1 in rat striatal membrane


J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair