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BDBM50241356 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside::CHEMBL250872::Eleutheroside B::Ligustrin::Lilacin::MAGNOLENIN A::Methoxyconiferine::Syrigin::Syringenin::Syringin::Syringoside::beta-Terpineol

SMILES: COc1cc(\C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=QJVXKWHHAMZTBY-GCPOEHJPSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50241356   
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
Ribonuclease H


(Escherichia coli (strain K12))
BDBM50241356
PNG
(4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphen...)
Show SMILES COc1cc(\C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assay


Bioorg Med Chem Lett 21: 2840-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.091
BindingDB Entry DOI: 10.7270/Q2H70G48
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50241356
PNG
(4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphen...)
Show SMILES COc1cc(\C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
PDB

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antibodypedia
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CHEMBL
MCE
KEGG
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PC sid
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Article
PubMed
n/an/a 3.60E+4n/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
Ribonuclease H


(Escherichia coli (strain K12))
BDBM50241356
PNG
(4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphen...)
Show SMILES COc1cc(\C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assay


Bioorg Med Chem Lett 21: 2840-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.091
BindingDB Entry DOI: 10.7270/Q2H70G48
More data for this
Ligand-Target Pair