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 8 hits for monomerid = 50010588   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0F7WPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 425nMAssay Description:Inhibition of [3H]5-HT uptake at SERTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0F7WPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 1.44E+3nMAssay Description:Inhibition of human dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0F7WPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 425nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7Q1TPubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 405nMAssay Description:Binding affinity to human NETMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7Q1TPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 1.44E+3nMAssay Description:Binding affinity to human DATMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7Q1TPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of [3H]-serotonin reuptake at human SERT expressed in HEK293 cells after 15 to 20 mins by fluorescence neurotransmitter transporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9WJ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 405nMAssay Description:Inhibition of human noradrenaline transporterMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0F7WPubMed