BDBM50017716 2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl ester::2-(diethylamino)ethyl 2,2-diphenylpentanoate::2-Benzhydryl-pentanoic acid 2-diethylamino-ethyl ester::CHEMBL282567::PROADIFEN HYDROCHLORIDE

SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1

InChI Key InChIKey=SNTQPLDRUZOSDP-UHFFFAOYSA-N

Data  1 KI  9 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50017716   

TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataKi:  17nMAssay Description:Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataEC50:  2.51E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataEC50:  1.41E+4nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataEC50:  1.26E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Rattus norvegicus)
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataEC50:  3.55E+4nMAssay Description:Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 4B1(Homo sapiens)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP450 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  1.59E+3nMAssay Description:The compound was tested for affinity towards sigma-3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  8.20E+3nMAssay Description:Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50: <1.32E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed