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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-2' and Ligand = 'BDBM50465974'   
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))
BDBM50465974
PNG
(CHEMBL4284515)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C15H25NO8/c1-7(2)3-4-11(20)16-12-8(18)5-10(15(22)23)24-14(12)13(21)9(19)6-17/h5,7-9,12-14,17-19,21H,3-4,6H2,1-2H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+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