BDBM82071 CAS_93413-69-5::CAS_99300-78-4::NSC_62923::VENLAFAXINE::Venlafaxine hydrochloride::WY-45030::WY-45655

SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

InChI Key InChIKey=PNVNVHUZROJLTJ-UHFFFAOYSA-N

Data  164 KI  58 IC50  4 Kd

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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 82071   

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  210nMAssay Description:Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  385nMAssay Description:Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  1.06E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  1.42E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  1.64E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  1.92E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  2.27E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  2.48E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  2.48E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKi:  6.31E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  5.72E+3nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  535nMAssay Description:Inhibition of norepinephrine uptake at human norepinephrine transporter expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of [3H]-NE reuptake in human NET transfected into HEK293 cells by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  535nMAssay Description:Inhibition of human NET transfected in MDCK-Net6 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataKd:  1.06E+3nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  149nMAssay Description:Inhibition of NETMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  581nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of re-uptake of [3H]-NE at human NET expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  149nMAssay Description:Inhibition of human NET expressed in MDCK cells assessed as decrease in [3H]-noradrenaline reuptake after 10 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of human NET expressed in HEK293 cells assessed as reduction in [3H]-NE uptake by micro beta scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells after 15 to 20 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank