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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50529808'   
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 (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50529808
PNG
(CHEMBL4463038)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)B(O)O |r,c:7|
Show InChI InChI=1S/C14H27BN4O4/c1-4-10(5-2)23-12-7-9(15(21)22)6-11(19-14(16)17)13(12)18-8(3)20/h7,10-13,21-22H,4-6H2,1-3H3,(H,18,20)(H4,16,17,19)/t11-,12+,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...


Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50529808
PNG
(CHEMBL4463038)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)B(O)O |r,c:7|
Show InChI InChI=1S/C14H27BN4O4/c1-4-10(5-2)23-12-7-9(15(21)22)6-11(19-14(16)17)13(12)18-8(3)20/h7,10-13,21-22H,4-6H2,1-3H3,(H,18,20)(H4,16,17,19)/t11-,12+,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...


Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair