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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Sialidase' and Ligand = 'BDBM7460'   
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


(Clostridium perfringens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 17: 6816-23 (2009)


Article DOI: 10.1016/j.bmc.2009.08.036
BindingDB Entry DOI: 10.7270/Q25M66NN
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 9.80E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry


Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.01E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by fluorometry


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 2.53E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair