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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialidase-3' and Ligand = 'BDBM50428069'   
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
Sialidase-3


(Homo sapiens (Human))
BDBM50428069
PNG
(CHEMBL2325813)
Show SMILES CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
Show InChI InChI=1S/C15H18N6O4/c1-9(22)18-14-11(20-21-16)7-12(15(23)24)25-13(14)8-17-19-10-5-3-2-4-6-10/h2-7,11,13-14,17,19H,8H2,1H3,(H,18,22)(H,23,24)/t11-,13-,14+/m0/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50428069
PNG
(CHEMBL2325813)
Show SMILES CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
Show InChI InChI=1S/C15H18N6O4/c1-9(22)18-14-11(20-21-16)7-12(15(23)24)25-13(14)8-17-19-10-5-3-2-4-6-10/h2-7,11,13-14,17,19H,8H2,1H3,(H,18,22)(H,23,24)/t11-,13-,14+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair