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PubMed code 16250644

Compile data set for download or QSAR
Found 66 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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176019
PNG
((R)-8-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperaz...)
Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176024
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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0.300n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176021
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c1-2-7-20-19(6-1)18(17-24-20)5-4-10-25-11-13-26(14-12-25)21-8-3-9-22-23(21)28-16-15-27-22/h1-3,6-9,17,24H,4-5,10-16H2
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0.400n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176044
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12
Show InChI InChI=1S/C23H26FN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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0.400n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176035
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-...)
Show SMILES CC1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)
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0.400n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176049
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-18-7-8-21-20(16-18)19(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)29-15-14-28-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176020
PNG
((R)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...)
Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176042
PNG
(5-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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0.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176045
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Show InChI InChI=1S/C23H26FN3O2/c24-19-6-1-5-18-17(16-25-22(18)19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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0.600n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176034
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-4H...)
Show SMILES O=C1COc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H26N4O2/c28-22-16-29-23-20(25-22)8-3-9-21(23)27-13-11-26(12-14-27)10-4-5-17-15-24-19-7-2-1-6-18(17)19/h1-3,6-9,15,24H,4-5,10-14,16H2,(H,25,28)
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0.600n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176041
PNG
((S)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176043
PNG
((S)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m0/s1
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176023
PNG
((S)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m0/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176023
PNG
((S)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m0/s1
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176032
PNG
(3-[3-(4-Chroman-5-yl-piperazin-1-yl)-propyl]-1H-in...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCCc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29N3O/c1-2-9-22-20(7-1)19(18-25-22)6-4-12-26-13-15-27(16-14-26)23-10-3-11-24-21(23)8-5-17-28-24/h1-3,7,9-11,18,25H,4-6,8,12-17H2
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1.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176028
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-1,...)
Show SMILES C(CN1CCN(CC1)c1cccc2NCCCc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H30N4/c1-2-9-22-20(7-1)19(18-26-22)6-5-13-27-14-16-28(17-15-27)24-11-3-10-23-21(24)8-4-12-25-23/h1-3,7,9-11,18,25-26H,4-6,8,12-17H2
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Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176025
PNG
(4-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12
Show InChI InChI=1S/C23H26ClN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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1.40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176039
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...)
Show SMILES CC1Oc2c(cccc2N(C)C1=O)N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-18-25(30)27(2)22-10-5-11-23(24(22)31-18)29-15-13-28(14-16-29)12-6-7-19-17-26-21-9-4-3-8-20(19)21/h3-5,8-11,17-18,26H,6-7,12-16H2,1-2H3
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Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176033
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3,...)
Show SMILES O=C1CCc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O/c29-24-11-10-20-22(26-24)8-3-9-23(20)28-15-13-27(14-16-28)12-4-5-18-17-25-21-7-2-1-6-19(18)21/h1-3,6-9,17,25H,4-5,10-16H2,(H,26,29)
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Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176029
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3,...)
Show SMILES C(CN1CCN(CC1)c1cccc2NCCOc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28N4O/c1-2-7-20-19(6-1)18(17-25-20)5-4-11-26-12-14-27(15-13-26)22-9-3-8-21-23(22)28-16-10-24-21/h1-3,6-9,17,24-25H,4-5,10-16H2
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1.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176036
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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1.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176031
PNG
(6-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1
Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176031
PNG
(6-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1
Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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2.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176040
PNG
((R)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176022
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3-...)
Show SMILES CC1CNc2cccc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c2C1
Show InChI InChI=1S/C25H32N4/c1-19-16-22-24(26-17-19)9-4-10-25(22)29-14-12-28(13-15-29)11-5-6-20-18-27-23-8-3-2-7-21(20)23/h2-4,7-10,18-19,26-27H,5-6,11-17H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176026
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...)
Show SMILES CC1(C)Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-25(2)24(30)27-21-10-5-11-22(23(21)31-25)29-15-13-28(14-16-29)12-6-7-18-17-26-20-9-4-3-8-19(18)20/h3-5,8-11,17,26H,6-7,12-16H2,1-2H3,(H,27,30)
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2.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176043
PNG
((S)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176034
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-4H...)
Show SMILES O=C1COc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H26N4O2/c28-22-16-29-23-20(25-22)8-3-9-21(23)27-13-11-26(12-14-27)10-4-5-17-15-24-19-7-2-1-6-18(17)19/h1-3,6-9,15,24H,4-5,10-14,16H2,(H,25,28)
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4.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176035
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-...)
Show SMILES CC1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)
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4.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176041
PNG
((S)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176037
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C24H29N3O2/c1-2-8-21-20(7-1)19(18-25-21)6-3-4-11-26-12-14-27(15-13-26)22-9-5-10-23-24(22)29-17-16-28-23/h1-2,5,7-10,18,25H,3-4,6,11-17H2
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5.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176040
PNG
((R)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176019
PNG
((R)-8-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperaz...)
Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176026
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...)
Show SMILES CC1(C)Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-25(2)24(30)27-21-10-5-11-22(23(21)31-25)29-15-13-28(14-16-29)12-6-7-18-17-26-20-9-4-3-8-19(18)20/h3-5,8-11,17,26H,6-7,12-16H2,1-2H3,(H,27,30)
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7.40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176027
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-1-...)
Show SMILES CN1CCCc2c1cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H32N4/c1-27-13-6-9-22-24(27)11-4-12-25(22)29-17-15-28(16-18-29)14-5-7-20-19-26-23-10-3-2-8-21(20)23/h2-4,8,10-12,19,26H,5-7,9,13-18H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176048
PNG
(7-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Show InChI InChI=1S/C23H26ClN3O2/c24-19-6-1-5-18-17(16-25-22(18)19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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7.90n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176044
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12
Show InChI InChI=1S/C23H26FN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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8.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176020
PNG
((R)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...)
Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176047
PNG
(3-{5-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(CCN1CCN(CC1)c1cccc2OCCOc12)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H31N3O2/c1(2-7-20-19-26-22-9-4-3-8-21(20)22)5-12-27-13-15-28(16-14-27)23-10-6-11-24-25(23)30-18-17-29-24/h3-4,6,8-11,19,26H,1-2,5,7,12-18H2
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9.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176028
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-1,...)
Show SMILES C(CN1CCN(CC1)c1cccc2NCCCc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H30N4/c1-2-9-22-20(7-1)19(18-26-22)6-5-13-27-14-16-28(17-15-27)24-11-3-10-23-21(24)8-4-12-25-23/h1-3,7,9-11,18,25-26H,4-6,8,12-17H2
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11n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176049
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-18-7-8-21-20(16-18)19(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)29-15-14-28-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
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11n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176033
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3,...)
Show SMILES O=C1CCc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C24H28N4O/c29-24-11-10-20-22(26-24)8-3-9-23(20)28-15-13-27(14-16-28)12-4-5-18-17-25-21-7-2-1-6-19(18)21/h1-3,6-9,17,25H,4-5,10-16H2,(H,26,29)
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11n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176045
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Show InChI InChI=1S/C23H26FN3O2/c24-19-6-1-5-18-17(16-25-22(18)19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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11n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176038
PNG
(3-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H25N3O2/c1-2-5-19-18(4-1)17(16-23-19)8-9-24-10-12-25(13-11-24)20-6-3-7-21-22(20)27-15-14-26-21/h1-7,16,23H,8-15H2
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12n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176018
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Cc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Show InChI InChI=1S/C24H29N3O2/c1-18-5-2-7-20-19(17-25-23(18)20)6-4-10-26-11-13-27(14-12-26)21-8-3-9-22-24(21)29-16-15-28-22/h2-3,5,7-9,17,25H,4,6,10-16H2,1H3
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12n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176046
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H29N3O3/c1-28-19-7-8-21-20(16-19)18(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)30-15-14-29-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
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14n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176036
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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15n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176046
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H29N3O3/c1-28-19-7-8-21-20(16-19)18(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)30-15-14-29-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3
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15n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176022
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3-...)
Show SMILES CC1CNc2cccc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c2C1
Show InChI InChI=1S/C25H32N4/c1-19-16-22-24(26-17-19)9-4-10-25(22)29-14-12-28(13-15-29)11-5-6-20-18-27-23-8-3-2-7-21(20)23/h2-4,7-10,18-19,26-27H,5-6,11-17H2,1H3
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15n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176018
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Cc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Show InChI InChI=1S/C24H29N3O2/c1-18-5-2-7-20-19(17-25-23(18)20)6-4-10-26-11-13-27(14-12-26)21-8-3-9-22-24(21)29-16-15-28-22/h2-3,5,7-9,17,25H,4,6,10-16H2,1H3
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16n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176048
PNG
(7-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12
Show InChI InChI=1S/C23H26ClN3O2/c24-19-6-1-5-18-17(16-25-22(18)19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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16n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176029
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3,...)
Show SMILES C(CN1CCN(CC1)c1cccc2NCCOc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28N4O/c1-2-7-20-19(6-1)18(17-25-20)5-4-11-26-12-14-27(15-13-26)22-9-3-8-21-23(22)28-16-10-24-21/h1-3,6-9,17,24-25H,4-5,10-16H2
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18n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176024
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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19n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176032
PNG
(3-[3-(4-Chroman-5-yl-piperazin-1-yl)-propyl]-1H-in...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCCc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29N3O/c1-2-9-22-20(7-1)19(18-25-22)6-4-12-26-13-15-27(16-14-26)23-10-3-11-24-21(23)8-5-17-28-24/h1-3,7,9-11,18,25H,4-6,8,12-17H2
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20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176021
PNG
(3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c1-2-7-20-19(6-1)18(17-24-20)5-4-10-25-11-13-26(14-12-25)21-8-3-9-22-23(21)28-16-15-27-22/h1-3,6-9,17,24H,4-5,10-16H2
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21n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176025
PNG
(4-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12
Show InChI InChI=1S/C23H26ClN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2
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24n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176042
PNG
(5-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...)
Show SMILES Clc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2
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32n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176039
PNG
(8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...)
Show SMILES CC1Oc2c(cccc2N(C)C1=O)N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O2/c1-18-25(30)27(2)22-10-5-11-23(24(22)31-18)29-15-13-28(14-16-29)12-6-7-19-17-26-21-9-4-3-8-20(19)21/h3-5,8-11,17-18,26H,6-7,12-16H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176047
PNG
(3-{5-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(CCN1CCN(CC1)c1cccc2OCCOc12)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H31N3O2/c1(2-7-20-19-26-22-9-4-3-8-21(20)22)5-12-27-13-15-28(16-14-27)23-10-6-11-24-25(23)30-18-17-29-24/h3-4,6,8-11,19,26H,1-2,5,7,12-18H2
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37n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176038
PNG
(3-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H25N3O2/c1-2-5-19-18(4-1)17(16-23-19)8-9-24-10-12-25(13-11-24)20-6-3-7-21-22(20)27-15-14-26-21/h1-7,16,23H,8-15H2
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45n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176037
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C24H29N3O2/c1-2-8-21-20(7-1)19(18-25-21)6-3-4-11-26-12-14-27(15-13-26)22-9-5-10-23-24(22)29-17-16-28-23/h1-2,5,7-10,18,25H,3-4,6,11-17H2
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60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176030
PNG
(3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-2-5-18-17(4-1)16(14-22-18)15-23-8-10-24(11-9-23)19-6-3-7-20-21(19)26-13-12-25-20/h1-7,14,22H,8-13,15H2
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62n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176027
PNG
(5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-1-...)
Show SMILES CN1CCCc2c1cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H32N4/c1-27-13-6-9-22-24(27)11-4-12-25(22)29-17-15-28(16-18-29)14-5-7-20-19-26-23-10-3-2-8-21(20)23/h2-4,8,10-12,19,26H,5-7,9,13-18H2,1H3
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90n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50176030
PNG
(3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-2-5-18-17(4-1)16(14-22-18)15-23-8-10-24(11-9-23)19-6-3-7-20-21(19)26-13-12-25-20/h1-7,14,22H,8-13,15H2
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176n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%