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 7 hits for monomerid = 50028094   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Sepracor

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

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

TargetCytochrome P450 2D6(Homo sapiens (Human))
Sepracor

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

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))
Sepracor

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))
Sepracor

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))
Sepracor

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