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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50068270'   
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)
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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PubMed
n/an/a 1.24E+4n/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)
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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Article
PubMed
n/an/a 1.59E+4n/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)
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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Article
PubMed
n/an/a 5.31E+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)
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
PDB
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 5.31E+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
Neuraminidase


(Influenza A virus)
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.61E+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