BDBM50148573 (E,E)-1-piperoylpiperidine::1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine::1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine::1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine::1-piperoylpiperidine::CHEMBL43185::N-[(E,E)-piperoyl]piperidine::piperine

SMILES O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1

InChI Key InChIKey=MXXWOMGUGJBKIW-YPCIICBESA-N

Data  5 KI  12 IC50  3 EC50  1 ITC

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50148573   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
West China Hospital

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataKi:  710nMAssay Description:Binding affinity to N-terminal 6His-tagged recombinant human DHODH expressed in Escherichia coli strain BL21 (DE3) by isothermal titration calorimetr...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Mus musculus)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataKi:  3.19E+3nMAssay Description:Inhibition of mouse brain MAOBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Mus musculus)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataKi:  1.90E+4nMAssay Description:Inhibition of mouse brain MAOAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataKi:  4.93E+4nMAssay Description:Inhibition of MAOA in rat brain mitochondriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataKi:  9.13E+4nMAssay Description:Inhibition of MAOB in rat brain mitochondriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Dr. Margarete Fischer-Bosch-Institute of Clinical Pharmacology

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  1.55E+4nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Dr. Margarete Fischer-Bosch-Institute of Clinical Pharmacology

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  7.41E+4nMAssay Description:TP_TRANSPORTER: inhibition of Cyclosporin A transepithelial transport (basal to apical) (Cyclosporin A: 1 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  404nMAssay Description:Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  260nMAssay Description:Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
University of Vienna

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataEC50:  5.24E+4nMAssay Description:Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Porto

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  1.05E+3nMAssay Description:Inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))TBA
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  4.23E+4nMAssay Description:Inhibition of cathepsin D (unknown origin) using hemoglobin as substrate after 30 min by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
School of Advanced Sciences

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
West China Hospital

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  880nMAssay Description:Inhibition of N-terminal 6His-tagged recombinant human DHODH expressed in Escherichia coli strain BL21 (DE3) using dihydroorotate as substrate and Co...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Universidad De Antioquia

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataEC50:  3.16E+3nMAssay Description:Agonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as increase in intracellular calcium levels by fluorimetri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Northeast Ohio Medical University

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  5.90E+4nMAssay Description:Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Porto

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  483nMAssay Description:Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
University of Vienna

Curated by ChEMBL
LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataEC50:  5.80E+3nMAssay Description:Positive allosteric modulation of GABAA alpha1beta2gamma2 receptor (unknown origin) stably expressed in CHO cells assessed as activation of GABA-indu...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gitam University

LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  6.00E+7nMpH: 7.4 T: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes as repo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gitam University

LigandPNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
Affinity DataIC50:  2.00E+6nMpH: 7.4 T: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes as repo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50148573   

CellLipoxygenase type I-B (LOX)(Glycine max (Soybean))
Kannur University, Thalassery Campus

SyringePNGBDBM50148573((E,E)-1-piperoylpiperidine | 1-[(2E,4E)-5-(1,3-ben...)
ITC DataΔG°: -7.48kcal/mole −TΔS°: 608kcal/mole ΔH°: -616kcal/mole logk: 3.05E+5
pH: 8.0 T: 25.00°C