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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hemagglutinin-neuraminidase' and Ligand = 'BDBM50341459'   
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
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)		BDBM50341459
PNG
((2R,3R,4S)-3-acetamido-4-(N'-(methylsulfonyl)-2-(4...)
Show SMILES CCCc1ccc(CC(NS(C)(=O)=O)=N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)cc1 |r,w:8.8,c:16|
Show InChI InChI=1S/C23H33N3O9S/c1-4-5-14-6-8-15(9-7-14)10-19(26-36(3,33)34)25-16-11-18(23(31)32)35-22(20(16)24-13(2)28)21(30)17(29)12-27/h6-9,11,16-17,20-22,27,29-30H,4-5,10,12H2,1-3H3,(H,24,28)(H,25,26)(H,31,32)/t16-,17+,20+,21+,22+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60E+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