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Compile Data Set for Download or QSAR

Found 836 hits with Last Name = 'kruse' and Initial = 'cg'   
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))
BDBM50020178
PNG
(CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)
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0.150n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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


(Homo sapiens (Human))
BDBM50316949
PNG
((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...)
Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r|
Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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0.300n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056040
PNG
(CHEMBL107141 | Cyclohexanecarbothioic acid {2-[4-(...)
Show SMILES COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1
Show InChI InChI=1S/C20H31N3OS/c1-24-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,25)
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0.320n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302220
PNG
(7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)
Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1
Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31)
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50123075
PNG
(4-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5cccc(F)c5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H25F2N3O2/c27-18-7-8-23-20(15-18)21(16-29-23)17-9-13-30(14-10-17)11-2-1-3-12-31-25(32)19-5-4-6-22(28)24(19)26(31)33/h4-9,15-16,29H,1-3,10-14H2
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0.400n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50103826
PNG
(7-[4-(6-Hydroxy-biphenyl-3-ylmethyl)-piperazin-1-y...)
Show SMILES Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1
Show InChI InChI=1S/C24H23N3O3/c28-22-10-9-17(15-19(22)18-5-2-1-3-6-18)16-26-11-13-27(14-12-26)21-8-4-7-20-23(21)30-24(29)25-20/h1-10,15,28H,11-14,16H2,(H,25,29)
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0.410n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020174
PNG
(1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...)
Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1
Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2
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0.420n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020174
PNG
(1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...)
Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1
Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2
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0.450n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50103839
PNG
(7-{4-[4-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-pipe...)
Show SMILES Fc1ccc(cc1)-c1ccnc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-16(5-7-18)17-8-9-25-19(14-17)15-27-10-12-28(13-11-27)21-3-1-2-20-22(21)30-23(29)26-20/h1-9,14H,10-13,15H2,(H,26,29)
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0.470n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50123069
PNG
(2-(4-(4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2/c26-18-7-8-23-21(15-18)22(16-27-23)17-9-13-28(14-10-17)11-3-4-12-29-24(30)19-5-1-2-6-20(19)25(29)31/h1-2,5-9,15-16,27H,3-4,10-14H2
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0.600n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020177
PNG
(1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-6-yl)-4-(5...)
Show SMILES C(N1CCN(CC1)c1cccc2OCCCOc12)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-2-6-19(7-3-1)21-11-10-20(25-21)18-26-12-14-27(15-13-26)22-8-4-9-23-24(22)29-17-5-16-28-23/h1-4,6-11,25H,5,12-18H2
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0.680n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020182
PNG
(1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmet...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)25-15-13-24(14-16-25)17-19-11-12-20(23-19)18-7-3-2-4-8-18/h2-12,23H,13-17H2,1H3
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0.760n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50123076
PNG
(2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C28H30FN3O2/c29-21-10-11-26-24(18-21)25(19-30-26)20-12-16-31(17-13-20)14-6-2-1-3-7-15-32-27(33)22-8-4-5-9-23(22)28(32)34/h4-5,8-12,18-19,30H,1-3,6-7,13-17H2
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056034
PNG
(CHEMBL108229 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C20H31N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,24)
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50123081
PNG
(4-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C26H26FN3O2/c27-22-9-6-8-20-24(22)26(32)30(25(20)31)14-5-1-4-13-29-15-11-18(12-16-29)21-17-28-23-10-3-2-7-19(21)23/h2-3,6-11,17,28H,1,4-5,12-16H2
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
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0.870n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL




J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
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0.870n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50103840
PNG
(1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dio...)
Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H26N2O2/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-26-12-14-27(15-13-26)23-10-5-11-24-25(23)29-17-16-28-24/h1-11,18H,12-17,19H2
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0.910n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019961
PNG
(1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3
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0.910n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50103830
PNG
(8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3,4-dihyd...)
Show SMILES C(N1CCN(CC1)c1cccc2NCCOc12)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27N3O/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-27-13-15-28(16-14-27)24-11-5-10-23-25(24)29-17-12-26-23/h1-11,18,26H,12-17,19H2
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0.930n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019961
PNG
(1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3
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0.960n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302213
PNG
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)
Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r|
Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50123080
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-10-22-25(19)27(32)30(26(22)31)15-6-2-5-14-29-16-12-20(13-17-29)23-18-28-24-11-4-3-9-21(23)24/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50123070
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C27H28FN3O2/c1-18-6-5-7-21-25(18)27(33)31(26(21)32)13-4-2-3-12-30-14-10-19(11-15-30)23-17-29-24-9-8-20(28)16-22(23)24/h5-10,16-17,29H,2-4,11-15H2,1H3
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020185
PNG
(4-(2-Methoxy-phenyl)-1-(5-phenyl-1H-pyrrol-2-ylmet...)
Show SMILES COc1ccccc1C1CCN(Cc2ccc([nH]2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O/c1-26-23-10-6-5-9-21(23)18-13-15-25(16-14-18)17-20-11-12-22(24-20)19-7-3-2-4-8-19/h2-12,18,24H,13-17H2,1H3
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1n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50103841
PNG
(8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[...)
Show SMILES O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H25N3O2/c29-24-18-30-25-22(26-24)10-5-11-23(25)28-14-12-27(13-15-28)17-19-6-4-9-21(16-19)20-7-2-1-3-8-20/h1-11,16H,12-15,17-18H2,(H,26,29)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
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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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
Monoamine transporters; Norepinephrine & serotonin


(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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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))
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]-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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50019960
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting


Bioorg Med Chem Lett 20: 2983-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056029
PNG
(CHEMBL316960 | N-{2-[4-(2,3-Dihydro-benzo[1,4]diox...)
Show SMILES CC1CN(CC(C)N1CCNC(=O)c1ccc(F)cc1)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28FN3O3/c1-16-14-26(20-4-3-5-21-22(20)30-13-12-29-21)15-17(2)27(16)11-10-25-23(28)18-6-8-19(24)9-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,25,28)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine transporters; Norepinephrine & serotonin


(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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056026
PNG
(1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H27FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-3,7-12H,4-6,13-17H2,1H3
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Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
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