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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50294412'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
BDBM50294412
PNG
(CHEMBL4164663)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H30FN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-6-8-16(22)9-7-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294412
PNG
(CHEMBL4164663)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H30FN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-6-8-16(22)9-7-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair