BDBM50240432 1-hydroxy-5-methyl-2-isopropylbenzene::2-isopropyl-5-methylphenol::3-p-cymenol::5-methyl-2-(propan-2-yl)phenol::5-methyl-2-isopropylphenol::6-isopropyl-3-methylphenol::6-isopropyl-m-cresol::CHEMBL29411::thymol

SMILES CC(C)c1ccc(C)cc1O

InChI Key InChIKey=MGSRCZKZVOBKFT-UHFFFAOYSA-N

Data  7 IC50  10 EC50

PDB links: 4 PDB IDs match this monomer.

  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 17 hits for monomerid = 50240432   

TargetSecreted chorismate mutase(Mycobacterium tuberculosis H37Rv)
Birla Institute Of Technology

LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50:  2.84E+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
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  8.69E+4nMAssay Description:Agonist activity at TRPA1 (unknown origin) by calcium imaging assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  6.00E+3nMAssay Description:Activation of human TRPA1 assessed as stimulation of intracellular Ca2+ levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily M member 8(Rattus norvegicus (Rat))
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  5.22E+4nMAssay Description:Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Rattus norvegicus)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  2.87E+5nMAssay Description:Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily M member 8(Rattus norvegicus (Rat))
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50:  3.15E+5nMAssay Description:Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 0.25 uM icilin-stimulated increase in intracellular Ca2+ levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily M member 8(Rattus norvegicus (Rat))
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50:  1.69E+5nMAssay Description:Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 20 uM menthol-stimulated increase in intracellular Ca2+ levelsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat sensitive channel TRPV3(Rattus norvegicus)
Universit£ del Piemonte Orientale

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  2.90E+4nMAssay Description:Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  6.00E+3nMAssay Description:Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  6.25E+4nMAssay Description:Activation of TRPA1 channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Bezmialem Vakif University

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50:  4.58E+5nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Bezmialem Vakif University

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50:  2.26E+5nMAssay Description:Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Susquehanna University

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 20 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  6.03E+4nMAssay 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))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  2.00E+4nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by calcium-3 dye based FLIPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataEC50:  6.00E+4nMAssay 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(Rattus norvegicus)
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM50240432(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Affinity DataIC50:  1.25E+5nMAssay Description:Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 uM allyl isothiocyanate-stimulated increase in intracellular Ca2+ leve...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed