null

SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12

InChI Key InChIKey=QXJNTMSGRQZRFO-DQZOQLMQSA-N

  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 7 hits for monomerid = 50254830   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataKi:  65nMAssay Description:Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataKi:  4.49E+3nMAssay Description:Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataKi:  6.57E+3nMAssay Description:Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataIC50: 106nMAssay Description:Inhibition of PDE4D2 by rapid fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataIC50: 173nMAssay Description:Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50254830(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)copy SMILEScopy InChI
Affinity DataIC50: 6.81E+3nMAssay Description:Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ04Q0PubMed