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SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1

InChI Key InChIKey=XXPANQJNYNUNES-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 13 hits for monomerid = 50005548   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  830nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1H2FPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  874nMAssay Description:Binding affinity to SERT (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BV7K8MPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  874nMAssay Description:Inhibition of serotonin (5-HT) uptake into rat brain synaptosomesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VT1SPHPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  874nMAssay Description:Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D50NJ3PubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP0192PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  1.01E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V69H3DPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of human recombinant SERT expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9XXKPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  1.82E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9TR3PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  2.06E+3nMAssay Description:Inhibition of SERTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K29QCPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  3.98E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27SSWPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataKi:  4.87E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6W98PubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataIC50: 830nMAssay Description:Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JH3MR6PubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Lundbeck AIS

Curated by PDSP Ki Database
LigandPNGBDBM50005548((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)copy SMILEScopy InChI
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HTMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WS8TTBPubMed