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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50451269'   
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
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50451269
PNG
(CHEMBL4213528)
Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(=O)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
Show InChI InChI=1S/C31H29N3O5/c1-37-29-14-22(17-32-9-11-33(12-10-32)31(36)20-5-3-2-4-6-20)23-15-26-24-16-28-27(38-19-39-28)13-21(24)7-8-34(26)18-25(23)30(29)35/h2-6,13-16,18H,7-12,17,19H2,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 580n/an/an/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...

Bioorg Med Chem 25: 5185-5193 (2017)


Article DOI: 10.1016/j.bmc.2017.07.006
BindingDB Entry DOI: 10.7270/Q2BG2RK1
More data for this
Ligand-Target Pair