BDBM50400902 1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine::CHEMBL2204360::Lu-AA21004::Trintellix::brintellix::vortioxetine hydrobromide

SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

InChI Key InChIKey=YQNWZWMKLDQSAC-UHFFFAOYSA-N

Data  29 KI  13 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50400902   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human SERT assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  3.70nMAssay Description:Binding affinity to human 5HT3A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  3.70nMAssay Description:Binding affinity to human 5-HT3R assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation count...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  9.5nMAssay Description:Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  15nMAssay Description:Binding affinity to human 5-HT1A assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  15nMAssay Description:Binding affinity to human 5HT1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  19nMAssay Description:Binding affinity to human 5-HT7R assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  19nMAssay Description:Binding affinity to human 5HT7 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  23nMAssay Description:Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  26nMAssay Description:Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  26nMAssay Description:Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  26nMAssay Description:Displacement of [3H]-LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  26nMAssay Description:Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  33nMAssay Description:Binding affinity at human 5HT1B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  39nMAssay Description:Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  46nMAssay Description:Binding affinity to human beta 1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  180nMAssay Description:Binding affinity to human histamine H2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  180nMAssay Description:Binding affinity to human 5HT2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  180nMAssay Description:Binding affinity to human 5HT2C receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  180nMAssay Description:Binding affinity to human histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  220nMAssay Description:Binding affinity to human 5HT5A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(RAT)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  230nMAssay Description:Binding affinity to rat 5HT3A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  330nMAssay Description:Binding affinity to human 5HT6 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  450nMAssay Description:Antagonist activity at human 5HT7 receptor expressed in HEK-CNG cells assessed as effect on cAMP production by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataKi:  560nMAssay Description:Binding affinity to human beta 2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataEC50:  2.10E+3nMAssay Description:Agonist activity at human 5HT3A receptor expressed in xenopus oocytes by electrophysiological methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(RAT)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  0.180nMAssay Description:Binding affinity to rat 5HT3A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of SERT in rat brain synaptosomes assessed as reduction in [3H]-5-HT uptake measured after 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  12nMAssay Description:Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataEC50:  120nMAssay Description:Partial agonist activity at human 5HT1B receptor expressed in CHO cells assessed as [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  5.40nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  890nMAssay Description:Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataEC50:  200nMAssay Description:Agonist activity at human 5HT1A receptor expressed in CHO cells assessed as [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  9.80E+3nMAssay Description:Inhibition of human recombinant CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy- 4-methylcoumarin after 45 mins by fluorescence spectro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50400902(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Affinity DataIC50:  3.90E+4nMAssay Description:Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed