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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialidase A' and Ligand = 'BDBM50303147'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sialidase A


(Streptococcus pneumoniae)
BDBM50303147
PNG
((-)-licarin B | CHEMBL578403)
Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+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)
BDBM50303147
PNG
((-)-licarin B | CHEMBL578403)
Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+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