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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50482882'   
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)
BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.14E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.03E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.17E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.25E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.52E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair