null

SMILES CNC(C)Cc1ccc2OCOc2c1

InChI Key InChIKey=SHXWCVYOXRDMCX-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50010588   

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataEC50:  1.00E+3nMAssay Description:Binding affinity to human NET expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PGTPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataEC50:  1.00E+3nMAssay Description:Binding affinity to human DAT expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PGTPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataEC50:  1.00E+3nMAssay Description:Binding affinity to human SERT expressed in HEK293 cells assessed as induction of [3H]5-HT release by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PGTPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataEC50:  75nMAssay Description:Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PGTPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataEC50:  61nMAssay Description:Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PGTPubMed