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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialidase-2' and Ligand = 'BDBM50465985'   
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-2


(Homo sapiens (Human))
BDBM50465985
PNG
(CHEMBL4280792)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(C)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C20H24N4O8/c1-10-2-4-11(5-3-10)12-7-24(23-22-12)8-16(28)21-17-13(26)6-15(20(30)31)32-19(17)18(29)14(27)9-25/h2-7,13-14,17-19,25-27,29H,8-9H2,1H3,(H,21,28)(H,30,31)/t13-,14+,17+,18+,19+/m0/s1
PDB
MMDB

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-2


(Homo sapiens (Human))
BDBM50465985
PNG
(CHEMBL4280792)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(C)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C20H24N4O8/c1-10-2-4-11(5-3-10)12-7-24(23-22-12)8-16(28)21-17-13(26)6-15(20(30)31)32-19(17)18(29)14(27)9-25/h2-7,13-14,17-19,25-27,29H,8-9H2,1H3,(H,21,28)(H,30,31)/t13-,14+,17+,18+,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair