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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Mixed-type inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ link... | Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Moncton Curated by ChEMBL | Assay Description Inhibition of 5-LO in human PMNL cells assessed as reduction in leukotriene formation preincubated for 5 mins followed by thapsigargin stimulation me... | Eur J Med Chem 179: 347-357 (2019) Article DOI: 10.1016/j.ejmech.2019.06.060 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method | J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp... | Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a |
University of Toyama Curated by ChEMBL | Assay Description Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay | J Med Chem 57: 8928-35 (2014) Article DOI: 10.1021/jm500997m BindingDB Entry DOI: 10.7270/Q2KD20HH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe... | Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration against HIV-1 integrase by strand transfer method | J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 7.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | J Med Chem 45: 841-52 (2002) BindingDB Entry DOI: 10.7270/Q28W3FGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of COX1 | J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of COX2 | J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry | J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry | J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli using S-tetralol as substrate by fluorometry | J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C2 expressed in Escherichia coli using S-tetralol as substrate by fluorometry | J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Chile Curated by ChEMBL | Assay Description Inhibition of thapsigargin-stimulated 15-LOX in human primary polymorphonuclear leukocytes using arachidonic acid as substrate preincubated for 5 min... | Bioorg Med Chem Lett 27: 1649-1653 (2017) Article DOI: 10.1016/j.bmcl.2017.03.017 BindingDB Entry DOI: 10.7270/Q22Z17TX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.41E+3 | n/a | n/a | n/a | n/a |
Muroran Institute of Technology Curated by ChEMBL | Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method | Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase by ELISA | Bioorg Med Chem Lett 18: 6553-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.046 BindingDB Entry DOI: 10.7270/Q2KW5JT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-lipoxygenase/FLAP (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Moncton Curated by ChEMBL | Assay Description Inhibition of 5-LO in human PMNL cells assessed as reduction in leukotriene formation preincubated for 5 mins followed by thapsigargin stimulation me... | Eur J Med Chem 179: 347-357 (2019) Article DOI: 10.1016/j.ejmech.2019.06.060 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human)) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire | Assay 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 ... | ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against HIV-1 integrase. | J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7 | |||||||||||
More data for this Ligand-Target Pair |