BDBM50028091 (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime::CHEMBL814::FLUVOXAMINE

SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=CJOFXWAVKWHTFT-XSFVSMFZSA-N

Data  56 KI  12 IC50

PDB links: 3 PDB IDs match 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 68 hits for monomerid = 50028091   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.46nMAssay Description:Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.60nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  2.77nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  3.08nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  3.08nMAssay Description:Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  3.57nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  3.80nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  4.17nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  6.70nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  14nMMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(RAT)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  36nMAssay Description:Displacement of [3H]-(+)pentazocine from rat brain sigma 1-type opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  36nMAssay Description:Binding affinity to sigma 1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(RAT)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  36nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(RAT)
Mcneil Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  299nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  458nMAssay Description:Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scintillation analysisMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  540nMMore data for this Ligand-Target Pair
TargetNorepinephrine transporter(RAT)
Mcneil Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  620nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(RAT)
Mcneil Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  940nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.12E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.29E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.30E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(RAT)
Mcneil Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.36E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.43E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.90E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(RAT)
Mcneil Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  1.90E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  2.95E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  4.74E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  4.80E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(RAT)
Mcneil Pharmaceutical

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(PORCINE)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  5.79E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  6.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Diakonhjemmet Hospital

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  8.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) assessed as sparteine oxidationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  8.44E+3nMAssay Description:Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat brain membranes in presence of (+)-pentazocine by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca R&D

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  8.50E+3nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi:  9.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Harvard University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Harvard University

Curated by PDSP Ki Database
LigandPNGBDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
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