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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-2' and Ligand = 'BDBM50270462'   
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))
BDBM50270462
PNG
(CHEMBL4100761)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=O)NCCC(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1S/C24H28N6O11/c1-11(31)26-19-14(27-24(40)25-7-6-18(33)34)8-17(23(38)39)41-21(19)20(35)16(32)10-30-9-15(28-29-30)12-2-4-13(5-3-12)22(36)37/h2-5,8-9,14,16,19-21,32,35H,6-7,10H2,1H3,(H,26,31)(H,33,34)(H,36,37)(H,38,39)(H2,25,27,40)/t14-,16+,19+,20+,21+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 4.30E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair