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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 14 hits for monomerid = 50010588   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataKi:  0.730nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q218368WPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataKi:  2.03nMAssay Description:Displacement of [3H]paroxetine from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q218368WPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataKi:  72nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FN14SJPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataKi:  238nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9GT3PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FN14SJPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CJ8C21PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

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 serotonin transporter(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
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
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
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))
Hadassah-Hebrew University Hospital

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 serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

Curated by ChEMBL
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataIC50: 384nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

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 serotonin transporter(Homo sapiens (Human))
Hadassah-Hebrew University Hospital

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 serotonin transporter(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM50010588((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)copy SMILEScopy InChI
Affinity DataEC50:  72nMAssay Description:Compound was tested for its ability to inhibit high affinity uptake of [3H]5-HT into mid brain nerve endings (synaptosomes) in ratMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5HWMPubMed