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BDBM50479919 2-(3,4-Dimethoxyphenethyl)Phenol::CHEMBL472762

SMILES: COc1ccc(CCc2ccccc2O)cc1OC

InChI Key: InChIKey=RIRTUCMKBRKEEJ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50479919   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50479919
PNG
(2-(3,4-Dimethoxyphenethyl)Phenol | CHEMBL472762)
Show SMILES COc1ccc(CCc2ccccc2O)cc1OC
Show InChI InChI=1S/C16H18O3/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-6,8,10-11,17H,7,9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.27E+5n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of cell free Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production by indophenol based Berthelot color reactio...


Eur J Med Chem 45: 5064-70 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.015
BindingDB Entry DOI: 10.7270/Q2R78J2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50479919
PNG
(2-(3,4-Dimethoxyphenethyl)Phenol | CHEMBL472762)
Show SMILES COc1ccc(CCc2ccccc2O)cc1OC
Show InChI InChI=1S/C16H18O3/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-6,8,10-11,17H,7,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.87E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay


Bioorg Med Chem 17: 2689-94 (2009)


Article DOI: 10.1016/j.bmc.2009.02.057
BindingDB Entry DOI: 10.7270/Q2RF5XTR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50479919
PNG
(2-(3,4-Dimethoxyphenethyl)Phenol | CHEMBL472762)
Show SMILES COc1ccc(CCc2ccccc2O)cc1OC
Show InChI InChI=1S/C16H18O3/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-6,8,10-11,17H,7,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.87E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay


Bioorg Med Chem 17: 2689-94 (2009)


Article DOI: 10.1016/j.bmc.2009.02.057
BindingDB Entry DOI: 10.7270/Q2RF5XTR
More data for this
Ligand-Target Pair