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PubMed code 9046348

Compile data set for download or QSAR
Found 45 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 1A


(Rattus norvegicus (rat))		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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n/an/a 0.300n/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


(Rattus norvegicus (rat))		BDBM50056376
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3c(=O)n2N)CC1
Show InChI InChI=1S/C22H27N5O2S/c1-29-20-10-5-4-9-19(20)26-14-12-25(13-15-26)11-6-16-30-22-24-18-8-3-2-7-17(18)21(28)27(22)23/h2-5,7-10H,6,11-16,23H2,1H3
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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


(Rattus norvegicus (rat))		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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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


(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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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


(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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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


(Rattus norvegicus (rat))		BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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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		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(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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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


(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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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


(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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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


(Rattus norvegicus (rat))		BDBM50056371
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)n2C)CC1
Show InChI InChI=1S/C25H32N4O2S2/c1-27-24(30)22-18-8-3-6-11-21(18)33-23(22)26-25(27)32-17-7-12-28-13-15-29(16-14-28)19-9-4-5-10-20(19)31-2/h4-5,9-10H,3,6-8,11-17H2,1-2H3
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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 3A/3B


(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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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 1A


(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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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


(Rattus norvegicus (rat))		BDBM50056383
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2nn3c(nc4sc(C)c(C)c4c3=O)s2)CC1
Show InChI InChI=1S/C22H25N5O2S2/c1-14-15(2)30-20-19(14)21(28)27-22(23-20)31-18(24-27)8-9-25-10-12-26(13-11-25)16-6-4-5-7-17(16)29-3/h4-7H,8-13H2,1-3H3
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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


(Rattus norvegicus (rat))		BDBM50056363
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4ccccc4c3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H26N4O2S2/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/h2-5,7-10H,6,11-16H2,1H3,(H,25,26,29)
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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


(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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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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056379
PNG
(3,5,6-Trimethyl-2-[3-(4-pyrimidin-2-yl-piperazin-1...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(C)c(=O)c2c1C
Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-17-16(14)18(27)24(3)20(23-17)28-13-5-8-25-9-11-26(12-10-25)19-21-6-4-7-22-19/h4,6-7H,5,8-13H2,1-3H3
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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


(Rattus norvegicus (rat))		BDBM50056377
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylsu...)
Show SMILES COc1ccccc1N1CCN(CCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O2S2/c1-29-18-8-4-3-7-17(18)27-12-10-26(11-13-27)14-15-30-23-24-21(28)20-16-6-2-5-9-19(16)31-22(20)25-23/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,24,25,28)
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056373
PNG
(5,6-Dimethyl-2-[3-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)[nH]c(=O)c2c1C
Show InChI InChI=1S/C19H24N6OS2/c1-13-14(2)28-17-15(13)16(26)22-19(23-17)27-12-4-7-24-8-10-25(11-9-24)18-20-5-3-6-21-18/h3,5-6H,4,7-12H2,1-2H3,(H,22,23,26)
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n/an/a 226n/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 2A


(Rattus norvegicus (rat))		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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n/an/a 300n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056360
PNG
(5,6-Dimethyl-2-[3-(4-naphthalen-1-yl-piperazin-1-y...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cccc4ccccc34)[nH]c(=O)c2c1C
Show InChI InChI=1S/C25H28N4OS2/c1-17-18(2)32-24-22(17)23(30)26-25(27-24)31-16-6-11-28-12-14-29(15-13-28)21-10-5-8-19-7-3-4-9-20(19)21/h3-5,7-10H,6,11-16H2,1-2H3,(H,26,27,30)
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n/an/a 355n/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


(Rattus norvegicus (rat))		BDBM50056365
PNG
(2-[3-(4-Naphthalen-1-yl-piperazin-1-yl)-propylsulf...)
Show SMILES O=c1[nH]c(SCCCN2CCN(CC2)c2cccc3ccccc23)nc2sc3CCCCc3c12
Show InChI InChI=1S/C27H30N4OS2/c32-25-24-21-10-3-4-12-23(21)34-26(24)29-27(28-25)33-18-6-13-30-14-16-31(17-15-30)22-11-5-8-19-7-1-2-9-20(19)22/h1-2,5,7-9,11H,3-4,6,10,12-18H2,(H,28,29,32)
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n/an/a 371n/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


(Rattus norvegicus (rat))		BDBM50056385
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(cc3c(=O)[nH]2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H28N4O2S2/c1-32-22-11-6-5-10-21(22)30-15-13-29(14-16-30)12-7-17-33-26-27-24(31)20-18-23(34-25(20)28-26)19-8-3-2-4-9-19/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,28,31)
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n/an/a 386n/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
D(1A) dopamine receptor


(RAT)		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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n/an/a 400n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056375
PNG
(2-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylsu...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3Cl)[nH]c(=O)c2c1C
Show InChI InChI=1S/C21H25ClN4OS2/c1-14-15(2)29-20-18(14)19(27)23-21(24-20)28-13-5-8-25-9-11-26(12-10-25)17-7-4-3-6-16(17)22/h3-4,6-7H,5,8-13H2,1-2H3,(H,23,24,27)
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n/an/a 460n/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


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056359
PNG
(2-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propylsulfa...)
Show SMILES O=c1[nH]c(SCCCN2CCN(CC2)c2ncccn2)nc2sc3CCCCc3c12
Show InChI InChI=1S/C21H26N6OS2/c28-18-17-15-5-1-2-6-16(15)30-19(17)25-21(24-18)29-14-4-9-26-10-12-27(13-11-26)20-22-7-3-8-23-20/h3,7-8H,1-2,4-6,9-14H2,(H,24,25,28)
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n/an/a 505n/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


(Rattus norvegicus (rat))		BDBM50056367
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(SC)nc3sc4CCCCc4c3c2=O)CC1
Show InChI InChI=1S/C25H32N4O2S2/c1-31-20-10-5-4-9-19(20)28-16-14-27(15-17-28)12-7-13-29-24(30)22-18-8-3-6-11-21(18)33-23(22)26-25(29)32-2/h4-5,9-10H,3,6-8,11-17H2,1-2H3
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n/an/a 511n/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 3A/3B


(Rattus norvegicus-RAT)		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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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]-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
D(1A) dopamine receptor


(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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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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]-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
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against radioligand [3H]-5-HT binding to 5-hydroxytryptamine 1B receptor 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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50056378
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3
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n/an/a 800n/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
D(1A) dopamine receptor


(RAT)		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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n/an/a 800n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056380
PNG
(2-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylsu...)
Show SMILES Clc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H27ClN4OS2/c24-17-7-2-3-8-18(17)28-13-11-27(12-14-28)10-5-15-30-23-25-21(29)20-16-6-1-4-9-19(16)31-22(20)26-23/h2-3,7-8H,1,4-6,9-15H2,(H,25,26,29)
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n/an/a 943n/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


(Rattus norvegicus (rat))		BDBM50056372
PNG
(2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propylsu...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cccc(Cl)c3)[nH]c(=O)c2c1C
Show InChI InChI=1S/C21H25ClN4OS2/c1-14-15(2)29-20-18(14)19(27)23-21(24-20)28-12-4-7-25-8-10-26(11-9-25)17-6-3-5-16(22)13-17/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,27)
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n/an/a 986n/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 2A


(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
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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n/an/a 1.40E+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]-5-HT binding to 5-hydroxytryptamine 1B receptor 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056381
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCOc2nc(SC)nc3sc4CCCCc4c23)CC1
Show InChI InChI=1S/C25H32N4O2S2/c1-30-20-10-5-4-9-19(20)29-15-13-28(14-16-29)12-7-17-31-23-22-18-8-3-6-11-21(18)33-24(22)27-25(26-23)32-2/h4-5,9-10H,3,6-8,11-17H2,1-2H3
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n/an/a 1.42E+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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50056368
PNG
(3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]...)
Show SMILES COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-15-16(2)31-21-20(15)22(28)27(24)23(25-21)30-14-6-11-26-12-9-17(10-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,17H,6,9-14,24H2,1-3H3
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n/an/a 1.50E+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
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
D(2) dopamine 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50056374
PNG
(2-[3-(4-Naphthalen-1-yl-piperazin-1-yl)-propylsulf...)
Show SMILES O=c1[nH]c(SCCCN2CCN(CC2)c2cccc3ccccc23)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C29H28N4OS2/c34-27-24-20-26(22-9-2-1-3-10-22)36-28(24)31-29(30-27)35-19-7-14-32-15-17-33(18-16-32)25-13-6-11-21-8-4-5-12-23(21)25/h1-6,8-13,20H,7,14-19H2,(H,30,31,34)
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n/an/a 2.01E+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
* indicates data uncertainty>20%