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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-2' and Ligand = 'BDBM50465986'   
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))
BDBM50465986
PNG
(CHEMBL4286830)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCC |r,c:3|
Show InChI InChI=1S/C18H30N2O8/c1-3-5-6-7-14(24)19-9-11(22)16(25)17-15(20-13(23)4-2)10(21)8-12(28-17)18(26)27/h8,10-11,15-17,21-22,25H,3-7,9H2,1-2H3,(H,19,24)(H,20,23)(H,26,27)/t10-,11+,15+,16+,17+/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/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