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

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

InChI Key: InChIKey=RECUKUPTGUEGMW-UHFFFAOYSA-N

Data: 5 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50240433   

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
Chorismate mutase (MTB CM) (Mycobacterium tuberculosis H37Rv)	BDBM50240433 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	7.5	37
Birla Institute of Technology & Science-Pilani					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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50240433 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50240433 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/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 (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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.88E+5	n/a	n/a	n/a	n/a	n/a	n/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
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50240433 (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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/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
Cholinesterase (Equus caballus (Horse))	BDBM50240433 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.11E+5	n/a	n/a	n/a	n/a	n/a	n/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