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BDBM50240433 5-Isopropyl-2-methyl-phenol::CARVACROL::CHEMBL281202

SMILES: CC(C)c1ccc(C)c(O)c1

InChI Key: InChIKey=RECUKUPTGUEGMW-UHFFFAOYSA-N

Data: 6 IC50  3 EC50

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 9 hits for monomerid = 50240433   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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Article
PubMed
n/an/a 1.06E+3n/an/an/an/a7.537



Birla Institute of Technology



Assay 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-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/an/an/a 7.00E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/a 4.11E+5n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


Bioorg Med Chem 25: 1352-1363 (2017)


Article DOI: 10.1016/j.bmc.2016.12.037
BindingDB Entry DOI: 10.7270/Q2W95CC5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/a 2.84E+5n/an/an/an/an/an/a



School of Health Sciences/Graduate Program in Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured ...


RSC Med Chem 11: 307-316 (2020)

More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Susquehanna University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 20 mins by spectrophotometric method


Bioorg Med Chem Lett 29: 56-58 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.013
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/an/an/a 1.70E+4n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/an/an/a 1.66E+4n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
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n/an/a 2.88E+5n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...


Bioorg Med Chem 25: 1352-1363 (2017)


Article DOI: 10.1016/j.bmc.2016.12.037
BindingDB Entry DOI: 10.7270/Q2W95CC5
More data for this
Ligand-Target Pair