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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'russo' and Initial = 'f'   
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
Serotonin (5-HT) 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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0.160n/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))
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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0.210n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006954
PNG
(2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-16-6-2-4-8-18(16)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)15-5-1-3-7-17(15)24-20/h1-8,24H,9-14H2,(H,25,30)
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0.530n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50100565
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1A adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50100565
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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1.80n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50164345
PNG
(6-(4-Methoxy-phenyl)-3-{3-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccc(cc1)-c1cc2[nH]c(=O)n(CCCN3CCN(CC3)c3ccccc3OC)c(=O)c2[nH]1
Show InChI InChI=1S/C27H31N5O4/c1-35-20-10-8-19(9-11-20)21-18-22-25(28-21)26(33)32(27(34)29-22)13-5-12-30-14-16-31(17-15-30)23-6-3-4-7-24(23)36-2/h3-4,6-11,18,28H,5,12-17H2,1-2H3,(H,29,34)
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2.11n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
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))
BDBM50088695
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1
Show InChI InChI=1S/C22H29N5OS2/c1-15-16(2)30-21-19(15)20(23)24-22(25-21)29-14-6-9-26-10-12-27(13-11-26)17-7-4-5-8-18(17)28-3/h4-5,7-8H,6,9-14H2,1-3H3,(H2,23,24,25)
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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]-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))
BDBM50088692
PNG
(3-Amino-2-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-p...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)nc2sccc2c1=O
Show InChI InChI=1S/C19H22N6O3S2/c20-24-18(26)14-6-13-29-17(14)21-19(24)30-12-3-7-22-8-10-23(11-9-22)15-4-1-2-5-16(15)25(27)28/h1-2,4-6,13H,3,7-12,20H2
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3n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50164355
PNG
(6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
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3.64n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088688
PNG
(3-Amino-2-[3-(4-pyrimidin-2-yl-piperazin-1-yl)-pro...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ncccn2)nc2sccc2c1=O
Show InChI InChI=1S/C17H21N7OS2/c18-24-15(25)13-3-12-26-14(13)21-17(24)27-11-2-6-22-7-9-23(10-8-22)16-19-4-1-5-20-16/h1,3-5,12H,2,6-11,18H2
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5.10n/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))
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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6.30n/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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088689
PNG
(1-{3-[5-(2-Ethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsu...)
Show SMILES CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C24H30N4O2S2/c1-3-30-21-11-6-4-9-19(21)23-25-26-24(32-23)31-18-8-13-27-14-16-28(17-15-27)20-10-5-7-12-22(20)29-2/h4-7,9-12H,3,8,13-18H2,1-2H3
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6.80n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088691
PNG
(3-Amino-6-ethyl-2-[3-(4-pyrimidin-2-yl-piperazin-1...)
Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c2=O)s1
Show InChI InChI=1S/C19H25N7OS2/c1-2-14-13-15-16(29-14)23-19(26(20)17(15)27)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6,13H,2,4,7-12,20H2,1H3
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9.40n/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))
BDBM50088687
PNG
(3-Amino-6-ethyl-2-{3-[4-(2-nitro-phenyl)-piperazin...)
Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c2=O)s1
Show InChI InChI=1S/C21H26N6O3S2/c1-2-15-14-16-19(32-15)23-21(26(22)20(16)28)31-13-5-8-24-9-11-25(12-10-24)17-6-3-4-7-18(17)27(29)30/h3-4,6-7,14H,2,5,8-13,22H2,1H3
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9.70n/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))
BDBM50088695
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1
Show InChI InChI=1S/C22H29N5OS2/c1-15-16(2)30-21-19(15)20(23)24-22(25-21)29-14-6-9-26-10-12-27(13-11-26)17-7-4-5-8-18(17)28-3/h4-5,7-8H,6,9-14H2,1-3H3,(H2,23,24,25)
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11n/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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
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13n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164359
PNG
(6-(2-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-9-5-4-8-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-2-3-7-18(17)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
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16.1n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164353
PNG
(6-(3-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-8-3-2-7-21(22)30-12-9-29(10-13-30)11-14-31-24(32)23-20(28-25(31)33)16-19(27-23)17-5-4-6-18(26)15-17/h2-8,15-16,27H,9-14H2,1H3,(H,28,33)
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16.9n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50175311
PNG
(6-(2-chlorophenyl)-3-(2-(4-(2-methoxyphenyl)pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-9-5-4-8-21(22)30-13-10-29(11-14-30)12-15-31-24(32)18-16-20(27-23(18)28-25(31)33)17-6-2-3-7-19(17)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
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19.1n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


Bioorg Med Chem Lett 16: 150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.027
BindingDB Entry DOI: 10.7270/Q2571BJ8
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50164347
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C26H29N5O3/c1-18-7-9-19(10-8-18)20-17-21-24(27-20)25(32)31(26(33)28-21)16-13-29-11-14-30(15-12-29)22-5-3-4-6-23(22)34-2/h3-10,17,27H,11-16H2,1-2H3,(H,28,33)
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19.9n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164349
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H29N5O3/c1-34-23-11-6-5-10-22(23)30-16-14-29(15-17-30)12-7-13-31-25(32)24-21(28-26(31)33)18-20(27-24)19-8-3-2-4-9-19/h2-6,8-11,18,27H,7,12-17H2,1H3,(H,28,33)
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22.4n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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23n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1B adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164356
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C25H27N5O3/c1-33-22-10-6-5-9-21(22)29-14-11-28(12-15-29)13-16-30-24(31)23-20(27-25(30)32)17-19(26-23)18-7-3-2-4-8-18/h2-10,17,26H,11-16H2,1H3,(H,27,32)
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24.0n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50130338
PNG
((S)-2,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquin...)
Show SMILES COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
Show InChI InChI=1S/C19H21NO4/c1-23-18-9-13-12(8-17(18)22)5-6-20-10-14-11(7-15(13)20)3-4-16(21)19(14)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
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25n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50164348
PNG
(6-(2-Chloro-phenyl)-3-{2-[4-(2-chloro-phenyl)-pipe...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-17-6-2-1-5-16(17)19-15-20-22(27-19)23(32)31(24(33)28-20)14-11-29-9-12-30(13-10-29)21-8-4-3-7-18(21)26/h1-8,15,27H,9-14H2,(H,28,33)
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27.8n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100565
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3
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31.1n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1B adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088689
PNG
(1-{3-[5-(2-Ethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsu...)
Show SMILES CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C24H30N4O2S2/c1-3-30-21-11-6-4-9-19(21)23-25-26-24(32-23)31-18-8-13-27-14-16-28(17-15-27)20-10-5-7-12-22(20)29-2/h4-7,9-12H,3,8,13-18H2,1-2H3
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32n/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))
BDBM50164354
PNG
(3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-6...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C24H24ClN5O2/c25-18-8-4-5-9-21(18)29-13-10-28(11-14-29)12-15-30-23(31)22-20(27-24(30)32)16-19(26-22)17-6-2-1-3-7-17/h1-9,16,26H,10-15H2,(H,27,32)
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35.0n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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36n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1A adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088692
PNG
(3-Amino-2-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-p...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)nc2sccc2c1=O
Show InChI InChI=1S/C19H22N6O3S2/c20-24-18(26)14-6-13-29-17(14)21-19(24)30-12-3-7-22-8-10-23(11-9-22)15-4-1-2-5-16(15)25(27)28/h1-2,4-6,13H,3,7-12,20H2
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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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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50n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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50n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50175315
PNG
(6-(2-chlorophenyl)-3-(2-(4-(2-chlorophenyl)piperaz...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-6-2-1-5-16(18)20-15-17-22(27-20)28-24(33)31(23(17)32)14-11-29-9-12-30(13-10-29)21-8-4-3-7-19(21)26/h1-8,15,27H,9-14H2,(H,28,33)
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64.9n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A


Bioorg Med Chem Lett 16: 150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.027
BindingDB Entry DOI: 10.7270/Q2571BJ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164346
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C27H31N5O3/c1-19-8-10-20(11-9-19)21-18-22-25(28-21)26(33)32(27(34)29-22)13-5-12-30-14-16-31(17-15-30)23-6-3-4-7-24(23)35-2/h3-4,6-11,18,28H,5,12-17H2,1-2H3,(H,29,34)
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83.0n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
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