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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50028094   

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 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 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