null

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

InChI Key InChIKey=SNTQPLDRUZOSDP-UHFFFAOYSA-N

  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...)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R210T8PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
TargetCytochrome P450 4B1(Homo sapiens)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of CYP450 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S46WJBPubMed
TargetAldehyde oxidase(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G6GPubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2Z321T8PubMed
TargetCytochrome P450 1A1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474C1SPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.59E+3nMAssay Description:The compound was tested for affinity towards sigma-3 receptorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8V57PubMed
TargetCytochrome P450 2B1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474C1SPubMed
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZP488MPubMed
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G6GPubMed
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50017716(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G6GPubMed