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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sialidase' and Ligand = 'BDBM50278346'   
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)
BDBM50278346
PNG
(CHEMBL470844 | Cudratricusxanthone)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278346
PNG
(CHEMBL470844 | Cudratricusxanthone)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50278346
PNG
(CHEMBL470844 | Cudratricusxanthone)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12
Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 245n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorimetry


Bioorg Med Chem 17: 2744-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.042
BindingDB Entry DOI: 10.7270/Q2V69KG5
More data for this
Ligand-Target Pair