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19 similar compounds to monomer 50117136

Compile data set for download or QSAR
Wt: 458.5
BDBM50109283
Wt: 394.4
BDBM50109286
Wt: 454.9
BDBM50117116
Wt: 426.9
BDBM50117124
Wt: 486.6
BDBM50117127
Wt: 450.5
BDBM50117131
Wt: 422.5
BDBM50117132
Wt: 472.5
BDBM50117140
Wt: 436.5
BDBM50264059
Wt: 422.4
BDBM50264061
Wt: 422.5
BDBM50263945
Wt: 436.5
BDBM50263946
Wt: 446.4
BDBM50263947
Wt: 436.5
BDBM50263312
Wt: 450.5
BDBM50263313
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50109283,50109286,50117116,50117124,50117127,50117131,50117132,50117140,50264059,50264061,50263945,50263946,50263947,50263312,50263313   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109283
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C26H30N6O2/c1-34-24-11-5-4-10-23(24)30-18-16-29(17-19-30)14-6-7-15-32-26(33)13-12-25(28-32)31-20-27-21-8-2-3-9-22(21)31/h2-5,8-13,20H,6-7,14-19H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


Article DOI: 10.1016/s0960-894x(01)00772-7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263946
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H32N6O2/c1-20(2)32-22-8-4-3-7-21(22)28-17-15-27(16-18-28)12-5-6-13-30-24(31)10-9-23(26-30)29-14-11-25-19-29/h3-4,7-11,14,19-20H,5-6,12-13,15-18H2,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263947
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(3-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263945
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)butyl)-6-(1...)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H30N6O2/c1-2-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50109283
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C26H30N6O2/c1-34-24-11-5-4-10-23(24)30-18-16-29(17-19-30)14-6-7-15-32-26(33)13-12-25(28-32)31-20-27-21-8-2-3-9-22(21)31/h2-5,8-13,20H,6-7,14-19H2,1H3
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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]rauwolscine radioligand from Alpha-2 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


Article DOI: 10.1016/s0960-894x(01)00772-7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117131
PNG
(6-(1H-imidazol-1-yl)-2-(7-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C25H34N6O2/c1-33-23-10-6-5-9-22(23)29-19-17-28(18-20-29)14-7-3-2-4-8-15-31-25(32)12-11-24(27-31)30-16-13-26-21-30/h5-6,9-13,16,21H,2-4,7-8,14-15,17-20H2,1H3
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98.7n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117127
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(6-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C28H34N6O2/c1-36-26-13-7-6-12-25(26)32-20-18-31(19-21-32)16-8-2-3-9-17-34-28(35)15-14-27(30-34)33-22-29-23-10-4-5-11-24(23)33/h4-7,10-15,22H,2-3,8-9,16-21H2,1H3
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106n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109286
PNG
(6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
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115n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


Article DOI: 10.1016/s0960-894x(01)00772-7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117116
PNG
(2-(7-(4-(2-chlorophenyl)piperazin-1-yl)heptyl)-6-(...)
Show SMILES Clc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H31ClN6O/c25-21-8-4-5-9-22(21)29-18-16-28(17-19-29)13-6-2-1-3-7-14-31-24(32)11-10-23(27-31)30-15-12-26-20-30/h4-5,8-12,15,20H,1-3,6-7,13-14,16-19H2
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123n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117140
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(5-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C27H32N6O2/c1-35-25-12-6-5-11-24(25)31-19-17-30(18-20-31)15-7-2-8-16-33-27(34)14-13-26(29-33)32-21-28-22-9-3-4-10-23(22)32/h3-6,9-14,21H,2,7-8,15-20H2,1H3
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127n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50263947
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(3-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2
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166n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5HT2A receptor


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117132
PNG
(6-(1H-imidazol-1-yl)-2-(5-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H30N6O2/c1-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-2-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
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223n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50263947
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(3-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50109283
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C26H30N6O2/c1-34-24-11-5-4-10-23(24)30-18-16-29(17-19-30)14-6-7-15-32-26(33)13-12-25(28-32)31-20-27-21-8-2-3-9-22(21)31/h2-5,8-13,20H,6-7,14-19H2,1H3
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315n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50264061
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C22H26N6O3/c1-31-19-6-3-2-5-18(19)25-13-15-26(16-14-25)21(29)7-4-11-28-22(30)9-8-20(24-28)27-12-10-23-17-27/h2-3,5-6,8-10,12,17H,4,7,11,13-16H2,1H3
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318n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117124
PNG
(2-{5-[4-(2-Chloro-phenyl)-piperazin-1-yl]-pentyl}-...)
Show SMILES Clc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H27ClN6O/c23-19-6-2-3-7-20(19)27-16-14-26(15-17-27)11-4-1-5-12-29-22(30)9-8-21(25-29)28-13-10-24-18-28/h2-3,6-10,13,18H,1,4-5,11-12,14-17H2
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323n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50109286
PNG
(6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
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463n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50109286
PNG
(6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C21H26N6O2/c1-29-19-6-3-2-5-18(19)25-15-13-24(14-16-25)10-4-11-27-21(28)8-7-20(23-27)26-12-9-22-17-26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
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673n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]rauwolscine radioligand from Alpha-2 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


Article DOI: 10.1016/s0960-894x(01)00772-7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50264059
PNG
(2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c30-23-6-5-22(28-10-7-24-18-28)25-29(23)9-2-1-8-26-11-13-27(14-12-26)19-3-4-20-21(17-19)32-16-15-31-20/h3-7,10,17-18H,1-2,8-9,11-16H2
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937n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50264061
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C22H26N6O3/c1-31-19-6-3-2-5-18(19)25-13-15-26(16-14-25)21(29)7-4-11-28-22(30)9-8-20(24-28)27-12-10-23-17-27/h2-3,5-6,8-10,12,17H,4,7,11,13-16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50263313
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C24H30N6O3/c1-19(2)33-21-7-4-3-6-20(21)27-14-16-28(17-15-27)23(31)8-5-12-30-24(32)10-9-22(26-30)29-13-11-25-18-29/h3-4,6-7,9-11,13,18-19H,5,8,12,14-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50263312
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)-4-oxobutyl...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c1-2-32-20-7-4-3-6-19(20)26-14-16-27(17-15-26)22(30)8-5-12-29-23(31)10-9-21(25-29)28-13-11-24-18-28/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263313
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C24H30N6O3/c1-19(2)33-21-7-4-3-6-20(21)27-14-16-28(17-15-27)23(31)8-5-12-30-24(32)10-9-22(26-30)29-13-11-25-18-29/h3-4,6-7,9-11,13,18-19H,5,8,12,14-17H2,1-2H3
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1.56E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263312
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)-4-oxobutyl...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c1-2-32-20-7-4-3-6-19(20)26-14-16-27(17-15-26)22(30)8-5-12-29-23(31)10-9-21(25-29)28-13-11-24-18-28/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3
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2.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50263946
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H32N6O2/c1-20(2)32-22-8-4-3-7-21(22)28-17-15-27(16-18-28)12-5-6-13-30-24(31)10-9-23(26-30)29-14-11-25-19-29/h3-4,7-11,14,19-20H,5-6,12-13,15-18H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50263945
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)butyl)-6-(1...)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H30N6O2/c1-2-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50264059
PNG
(2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c30-23-6-5-22(28-10-7-24-18-28)25-29(23)9-2-1-8-26-11-13-27(14-12-26)19-3-4-20-21(17-19)32-16-15-31-20/h3-7,10,17-18H,1-2,8-9,11-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane


Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair