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Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'den hartog' and Initial = 'ap'   
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
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
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
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))
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))
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
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))
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))
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))
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
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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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
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
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309538
PNG
(5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.03n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
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
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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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
Monoamine transporters; Norepinephrine & serotonin


(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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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
Monoamine transporters; Norepinephrine & serotonin


(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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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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159929
PNG
(CHEMBL3786752)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC(CC)C=N1 |c:22|
Show InChI InChI=1/C14H20ClN5O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-13(16)12(15)7-11/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19)
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1.5n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309540
PNG
(2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13|
Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159784
PNG
(CHEMBL3785453)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(22-11-16(10-20-22)7-3-4-8-16)21-25(23,24)12-5-6-14(18)13(17)9-12/h5-6,9-10H,2-4,7-8,11,18H2,1H3,(H,19,21)
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1.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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))
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312822
PNG
((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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))
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
Monoamine transporters; Norepinephrine & serotonin


(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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309534
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13|
Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)
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2.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309537
PNG
(2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl...)
Show SMILES Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H18F3N3O/c1-13-18(25-14(2)26(13)16-9-4-3-5-10-16)19(27)24-12-15-8-6-7-11-17(15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
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3.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312833
PNG
((S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:3.3,c:21|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-18(12-14-31)23(25,26)27)32-15-20(16-5-3-2-4-6-16)21(29-32)17-7-9-19(24)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,28,30)/t20-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159769
PNG
(CHEMBL3785100)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(CCCC2)C=N1 |c:27|
Show InChI InChI=1S/C18H23N5O2S/c1-2-19-17(23-13-18(12-21-23)8-3-4-9-18)22-26(24,25)15-5-6-16-14(11-15)7-10-20-16/h5-7,10-12,20H,2-4,8-9,13H2,1H3,(H,19,22)
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4.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159783
PNG
(CHEMBL3787201)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(O)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H22N4O3S/c1-2-17-15(20-12-16(11-18-20)9-3-4-10-16)19-24(22,23)14-7-5-13(21)6-8-14/h5-8,11,21H,2-4,9-10,12H2,1H3,(H,17,19)
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5.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159754
PNG
(CHEMBL3785512)
Show SMILES CCN\C(=N/S(=O)(=O)c1cc(O)cc(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(21-11-16(10-19-21)5-3-4-6-16)20-25(23,24)14-8-12(17)7-13(22)9-14/h7-10,22H,2-6,11H2,1H3,(H,18,20)
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6.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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7n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.101
BindingDB Entry DOI: 10.7270/Q2C827W3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159786
PNG
(CHEMBL3786693)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCCC2)C=N1 |c:25|
Show InChI InChI=1S/C17H25N5O2S/c1-2-19-16(21-25(23,24)15-8-6-14(18)7-9-15)22-13-17(12-20-22)10-4-3-5-11-17/h6-9,12H,2-5,10-11,13,18H2,1H3,(H,19,21)
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7.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159931
PNG
(CHEMBL3785626)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC(CC)C=N1 |c:21|
Show InChI InChI=1/C14H21N5O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-12(15)6-8-13/h5-9,11H,3-4,10,15H2,1-2H3,(H,16,18)
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7.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
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