BDBM50028094 (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine::(1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine::CHEMBL809::SERTRALINE

SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

InChI Key InChIKey=VGKDLMBJGBXTGI-SJCJKPOMSA-N

Data  9 KI  20 IC50  4 Kd

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50028094   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  0.850nMAssay Description:Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  3.40nMAssay Description:Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomesMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  57nMAssay Description:Binding affinity to sigma 1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(RAT)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  57nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  78nMAssay Description:Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  159nMAssay Description:Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  220nMAssay Description:Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  260nMAssay Description:Inhibition of [3H]- DA reuptake into rat striatal synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKi:  5.30E+3nMAssay Description:Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat brain membranes in presence of (+)-pentazocine by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Sepracor Inc.

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  800nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Sepracor Inc.

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  310nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKd:  25nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDATMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKd:  420nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKd:  0.290nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERTMore data for this Ligand-Target Pair
TargetTransporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  60nMAssay Description:Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HTMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  460nMAssay Description:Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrineMore data for this Ligand-Target Pair
TargetTransporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  300nMAssay Description:Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  320nMAssay Description:Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranscriptional activator protein LuxR(Vibrio fischeri)
INSA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  2.70E+4nMAssay Description:Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  2.93E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnvelope glycoprotein(Zaire ebolavirus (strain Mayinga-76) (ZEBOV) (Zair...)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataKd:  9.50E+5nMAssay Description:Binding affinity to Ebola virus Zaire Mayinga-76 recombinant GP protein by SYPRO orange dye-based fluorescence assayMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Heidelberg

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  3.18E+4nMAssay Description:TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Sepracor Inc.

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Sepracor Inc.

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  310nMAssay Description:Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  825nMAssay Description:Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  3nMAssay Description:Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  3nMAssay Description:Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  825nMAssay Description:Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  0.190nMAssay Description:Inhibition of SERT (unknown origin)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50028094((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Affinity DataIC50:  310nMAssay Description:Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank