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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialidase' and Ligand = 'BDBM50442400'   
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


(Clostridium perfringens)
BDBM50442400
PNG
(AURICULASIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O |c:11|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442400
PNG
(AURICULASIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O |c:11|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as substrate by fl...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair