BDBM50164168 1,3,4-Eugenol::1-Hydroxy-2-methoxy-4-allylbenzene::1-Hydroxy-2-methoxy-4-prop-2-enylbenzene::1-Hydroxy-2-methoxy-4-propenylbenzene::1-allyl-3-methoxy-4-hydroxybenzene::1-allyl-4-hydroxy-3-methoxybenzene::2-Hydroxy-5-allylanisole::2-Methoxy-1-hydroxy-4-allylbenzene::2-Methoxy-4-allylphenol::2-Methoxy-4-prop-2-enylphenol::2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol::4-Allyl-1-hydroxy-2-methoxybenzene::4-Allylcatechol-2-methyl ether::4-Allylguaiacol::4-Hydroxy-3-methoxy-1-allylbenzene::Allylguaiacol::CHEMBL42710::Caryophyllic acid::Eugenic acid::Eugenol::p-Allylguaiacol::p-Eugenol

SMILES COc1cc(CC=C)ccc1O

InChI Key InChIKey=RRAFCDWBNXTKKO-UHFFFAOYSA-N

Data  9 IC50  5 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50164168   

TargetSeed linoleate 9S-lipoxygenase-3(Glycine max (Soybean))
Mashhad University of Medical Sciences

LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  3.41E+4nMpH: 9.0 T: 2°CAssay Description:Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSecreted chorismate mutase(Mycobacterium tuberculosis H37Rv)
Birla Institute of Technology

LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  2.86E+4nMpH: 7.5 T: 2°CAssay Description:Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  1.29E+5nMAssay Description:Inhibition of COX2 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
Meijo University

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  1.90E+4nMAssay Description:Antagonist activity at AR in human MDA-kb2 cells cotransfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  1.29E+5nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataEC50:  6.60E+4nMAssay Description:Agonist activity at human TRMP8 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataEC50:  1.70E+5nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataEC50:  1.68E+5nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
School Of Advanced Sciences

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  2.60E+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
TargetBeta-glucuronidase(Homo sapiens (Human))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  3.75E+6nMAssay Description:Inhibition of beta-glucuronidase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataEC50:  1.16E+5nMAssay Description:Agonist activity at TRPA1 (unknown origin) by calcium imaging assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Mazandaran University Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataIC50:  9.23E+5nMAssay Description:Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 15 mins by microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Hull

Curated by ChEMBL
LigandPNGBDBM50164168(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Affinity DataEC50:  2.61E+5nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 assessed as increase in calcium influx by two electrode voltage clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed