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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50482877'   
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)
BDBM50482877
PNG
(CHEBI:70657 | CHEMBL53343)
Show SMILES COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/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)
BDBM50482877
PNG
(CHEBI:70657 | CHEMBL53343)
Show SMILES COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/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