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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 47 hits for monomerid = 50400902
Affinity DataKi: 1.60nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
Affinity DataKi: 1.60nMAssay Description:Binding affinity to human SERT assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 3.70nMAssay Description:Binding affinity to human 5-HT3R assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 3.70nMAssay Description:Binding affinity to human 5HT3A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
Affinity DataKi: 15nMAssay Description:Binding affinity to human 5HT1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
Affinity DataKi: 15nMAssay Description:Binding affinity to human 5-HT1A assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 19nMAssay Description:Binding affinity to human 5HT7 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 19nMAssay Description:Binding affinity to human 5-HT7R assessed as inhibition constantMore data for this Ligand-Target Pair
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
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
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
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
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
Affinity DataKi: 33nMAssay Description:Binding affinity at human 5HT1B receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
Affinity DataKi: 46nMAssay Description:Binding affinity to human beta 1 adrenergic receptorMore data for this Ligand-Target Pair
Affinity DataKi: 180nMAssay Description:Binding affinity to human histamine H2 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 180nMAssay Description:Binding affinity to human histamine H1 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 180nMAssay Description:Binding affinity to human 5HT2C receptorMore data for this Ligand-Target Pair
Affinity DataKi: 180nMAssay Description:Binding affinity to human 5HT2A receptorMore data for this Ligand-Target Pair
Affinity DataKi: 220nMAssay Description:Binding affinity to human 5HT5A receptorMore data for this Ligand-Target Pair
Affinity DataKi: 230nMAssay Description:Binding affinity to rat 5HT3A receptorMore data for this Ligand-Target Pair
Affinity DataKi: 330nMAssay Description:Binding affinity to human 5HT6 receptorMore data for this Ligand-Target Pair
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
Affinity DataKi: 560nMAssay Description:Binding affinity to human beta 2 adrenergic receptorMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 5.20nMAssay Description:Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicansMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
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
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
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
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
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
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
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
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
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
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
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
Affinity DataIC50: 0.180nMAssay Description:Binding affinity to rat 5HT3A receptorMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 3.10nMAssay Description:Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coliMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
China State Institute Of Pharmaceutical Industry
Curated by ChEMBL
Affinity DataIC50: 5.30nMAssay Description:Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 5.40nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
Affinity DataIC50: 890nMAssay Description:Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation countingMore data for this Ligand-Target Pair
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
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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
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
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