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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50068267'   
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)
BDBM50068267
PNG
((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
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Article
PubMed
n/an/a 8.13E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant H1N1 swine influenza virus neuraminidase H274Y mutant activity expressed in HEK293T cells after 2 hrs by spectrof...


Bioorg Med Chem Lett 21: 294-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.016
BindingDB Entry DOI: 10.7270/Q2N87DMZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50068267
PNG
((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
PDB
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.24E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of wild type H1N1 swine influenza virus neuraminidase activity expressed in HEK293T cells after 2 hrs by spectrofluorometry


Bioorg Med Chem Lett 21: 294-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.016
BindingDB Entry DOI: 10.7270/Q2N87DMZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50068267
PNG
((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
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PC sid
UniChem

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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A H9N2 virus neuraminidase activity after 2 hrs by spectrofluorometry


Bioorg Med Chem Lett 21: 294-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.016
BindingDB Entry DOI: 10.7270/Q2N87DMZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50068267
PNG
((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
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PC sid
UniChem

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Article
PubMed
n/an/a 2.14E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A H1N1 virus neuraminidase activity after 2 hrs by spectrofluorometry


Bioorg Med Chem Lett 21: 294-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.016
BindingDB Entry DOI: 10.7270/Q2N87DMZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50068267
PNG
((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.03E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A H1N1 virus neuraminidase activity by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 294-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.016
BindingDB Entry DOI: 10.7270/Q2N87DMZ
More data for this
Ligand-Target Pair