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BDBM50341458 5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-cyclohexenyl-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1767334

SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(CC1=CCCCC1)NS(C)(=O)=O

InChI Key: InChIKey=NWBBJEBJAWOASK-BUQIGAELNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341458   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341458
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-cyclohexe...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(CC1=CCCCC1)NS(C)(=O)=O
Show InChI InChI=1/C20H31N3O9S/c1-11(25)21-17-13(9-15(20(28)29)32-19(17)18(27)14(26)10-24)22-16(23-33(2,30)31)8-12-6-4-3-5-7-12/h6,9,13-14,17-19,24,26-27H,3-5,7-8,10H2,1-2H3,(H,21,25)(H,22,23)(H,28,29)/t13-,14+,17+,18+,19+/s2
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)


Article DOI: 10.1016/j.bmc.2011.02.010
BindingDB Entry DOI: 10.7270/Q2BZ66BM
More data for this
Ligand-Target Pair