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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50483310'   
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)
BDBM50483310
PNG
(Licochalcone G)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1O)C(C)(C)C=C
Show InChI InChI=1S/C21H22O5/c1-5-21(2,3)16-10-13(20(26-4)12-19(16)25)6-9-17(23)15-8-7-14(22)11-18(15)24/h5-12,22,24-25H,1H2,2-4H3/b9-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+5n/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)
BDBM50483310
PNG
(Licochalcone G)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1O)C(C)(C)C=C
Show InChI InChI=1S/C21H22O5/c1-5-21(2,3)16-10-13(20(26-4)12-19(16)25)6-9-17(23)15-8-7-14(22)11-18(15)24/h5-12,22,24-25H,1H2,2-4H3/b9-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+5n/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)
BDBM50483310
PNG
(Licochalcone G)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1O)C(C)(C)C=C
Show InChI InChI=1S/C21H22O5/c1-5-21(2,3)16-10-13(20(26-4)12-19(16)25)6-9-17(23)15-8-7-14(22)11-18(15)24/h5-12,22,24-25H,1H2,2-4H3/b9-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+5n/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