new BindingDB logo
myBDB logout

BDBM50321274 CHEMBL1163189::Methyl 2-(5-hydroxy-2-methoxy-4-propylphenoxy)acetate

SMILES: CCCc1cc(OC)c(OCC(=O)OC)cc1O

InChI Key: InChIKey=NDTAPNIMCDZKDD-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 = 50321274   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321274
PNG
(CHEMBL1163189 | Methyl 2-(5-hydroxy-2-methoxy-4-pr...)
Show SMILES CCCc1cc(OC)c(OCC(=O)OC)cc1O
Show InChI InChI=1S/C13H18O5/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7,14H,4-5,8H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.11E+3n/an/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically


Bioorg Med Chem 22: 5871-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.022
BindingDB Entry DOI: 10.7270/Q2833TM8
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Schizosaccharomyces pombe)
BDBM50321274
PNG
(CHEMBL1163189 | Methyl 2-(5-hydroxy-2-methoxy-4-pr...)
Show SMILES CCCc1cc(OC)c(OCC(=O)OC)cc1O
Show InChI InChI=1S/C13H18O5/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7,14H,4-5,8H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.65E+4n/an/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4238-48 (2010)


Article DOI: 10.1016/j.bmc.2010.04.096
BindingDB Entry DOI: 10.7270/Q2KW5H0Z
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321274
PNG
(CHEMBL1163189 | Methyl 2-(5-hydroxy-2-methoxy-4-pr...)
Show SMILES CCCc1cc(OC)c(OCC(=O)OC)cc1O
Show InChI InChI=1S/C13H18O5/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7,14H,4-5,8H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Inhibition of human HMG-CoA reductase after 30 mins


Bioorg Med Chem 22: 5871-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.022
BindingDB Entry DOI: 10.7270/Q2833TM8
More data for this
Ligand-Target Pair