BDBM50029207 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester::(E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate::3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester::CAPE::CHEMBL319244::caffeic acid phenethyl ester::caffeic acid phenethylester::caffeic acid phenylethyl ester::caffeic acid phenylethylester::caffeic acidphenethylester::phenethyl 3-(3,4-dihydroxyphenyl)acrylate::phenethyl caffeate

SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O

InChI Key InChIKey=SWUARLUWKZWEBQ-VQHVLOKHSA-N

Data  1 KI  24 IC50  2 EC50

PDB links: 4 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50029207   

TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataKi:  46nMAssay Description:Mixed-type inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ link...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  2.58E+4nMAssay Description:Inhibition of N-terminal His-tagged human AKR1C2 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as ...More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  4.20E+4nMAssay Description:Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  80nMAssay Description:Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataEC50:  8.60E+3nMAssay Description:Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  570nMAssay Description:Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibitory concentration against HIV-1 integrase by strand transfer methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  7.08E+3nMAssay Description:Inhibitory activity against HIV-1 Integrase (HIV-1-IN)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  5.80E+4nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  8.20E+4nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometryMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli using S-tetralol as substrate by fluorometryMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of human recombinant AKR1C2 expressed in Escherichia coli using S-tetralol as substrate by fluorometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Universidad De Chile

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  130nMAssay Description:Inhibition of thapsigargin-stimulated 15-LOX in human primary polymorphonuclear leukocytes using arachidonic acid as substrate preincubated for 5 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataEC50:  8.41E+3nMAssay Description:Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of HIV1 integrase by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  970nMAssay Description:Inhibition of 5-LO in human PMNL cells assessed as reduction in leukotriene formation preincubated for 5 mins followed by thapsigargin stimulation me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  970nMAssay Description:Inhibition of 5-LO in human PMNL cells assessed as reduction in leukotriene formation preincubated for 5 mins followed by thapsigargin stimulation me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member A1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of N-terminal His-tagged human AKR1A1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using D,L-glyceraldehyde as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  390nMAssay Description:Inhibition of N-terminal His-tagged human AKR1B10 expressed in Escherichia coli BL21 (Condon Plus) competent cells using pyridine-3-aldehydenone as s...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  3.56E+3nMAssay Description:Inhibition of N-terminal His-tagged human AKR1B1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using D,L-glyceraldehyde as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  8.25E+3nMAssay Description:Inhibition of N-terminal His-tagged human AKR1C4 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  3.71E+3nMAssay Description:Inhibition of N-terminal His-tagged human AKR1C3 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  2.92E+4nMAssay Description:Inhibition of N-terminal His-tagged human AKR1C1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
Gifu Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  80nMpH: 7.0Assay Description:The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50029207((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Affinity DataIC50:  7.00E+3nMAssay Description:In vitro inhibitory activity against HIV-1 integrase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed