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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM7459'   
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
Neuraminidase


(Influenza A virus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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KEGG
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Article
PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Bioorg Med Chem 16: 7141-7 (2008)


Article DOI: 10.1016/j.bmc.2008.06.049
BindingDB Entry DOI: 10.7270/Q2R2145D
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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MCE
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Article
PubMed
n/an/a 3.37E+4n/an/an/an/an/an/a



Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Bioorg Med Chem 16: 7141-7 (2008)


Article DOI: 10.1016/j.bmc.2008.06.049
BindingDB Entry DOI: 10.7270/Q2R2145D
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB
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KEGG

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CHEMBL
MCE
KEGG
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PDB
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Article
PubMed
n/an/a 3.37E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Eur J Med Chem 45: 1724-30 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.005
BindingDB Entry DOI: 10.7270/Q27P926M
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Eur J Med Chem 45: 1724-30 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.005
BindingDB Entry DOI: 10.7270/Q27P926M
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.33E+4n/an/an/an/an/an/a



Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Bioorg Med Chem 16: 7141-7 (2008)


Article DOI: 10.1016/j.bmc.2008.06.049
BindingDB Entry DOI: 10.7270/Q2R2145D
More data for this
Ligand-Target Pair