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BDBM50341451 5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(isopropylamino)-3-(tosylimino)-propoxy]-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1767330

SMILES: CC(C)N=C(CCO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)NS(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=XHHNVTOQXRQUIJ-NQDIBGKZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341451   
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)		BDBM50341451
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(isopro...)
Show SMILES CC(C)N=C(CCO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)NS(=O)(=O)c1ccc(C)cc1 |r,w:3.2,c:9|
Show InChI InChI=1S/C24H35N3O10S/c1-13(2)25-20(27-38(34,35)16-7-5-14(3)6-8-16)9-10-36-18-11-19(24(32)33)37-23(21(18)26-15(4)29)22(31)17(30)12-28/h5-8,11,13,17-18,21-23,28,30-31H,9-10,12H2,1-4H3,(H,25,27)(H,26,29)(H,32,33)/t17-,18+,21-,22-,23-/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.70E+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