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SMILES: COc1cc(CC=C)cc(OC)c1O

InChI Key: InChIKey=FWMPKHMKIJDEMJ-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50242963   
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
Sialidase A


(Streptococcus pneumoniae)
BDBM50242963
PNG
(CHEBI:86562 | Methoxyeugenol)
Show SMILES COc1cc(CC=C)cc(OC)c1O
Show InChI InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...


Bioorg Med Chem Lett 27: 3060-3064 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.055
BindingDB Entry DOI: 10.7270/Q2G73H5Z
More data for this
Ligand-Target Pair
Sialidase A


(Streptococcus pneumoniae)
BDBM50242963
PNG
(CHEBI:86562 | Methoxyeugenol)
Show SMILES COc1cc(CC=C)cc(OC)c1O
Show InChI InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...


Bioorg Med Chem Lett 27: 3060-3064 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.055
BindingDB Entry DOI: 10.7270/Q2G73H5Z
More data for this
Ligand-Target Pair