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BDBM50451268 CHEMBL4216355

SMILES: [Cl-].COc1cc(CN2CCN(CC2)c2ccc3ccccc3c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O

InChI Key: InChIKey=AWEDHEZGAPFWAK-UHFFFAOYSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451268   
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
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50451268
PNG
(CHEMBL4216355)
Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc3ccccc3c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
Show InChI InChI=1S/C34H31N3O4/c1-39-33-16-25(19-35-10-12-36(13-11-35)26-7-6-22-4-2-3-5-23(22)14-26)27-17-30-28-18-32-31(40-21-41-32)15-24(28)8-9-37(30)20-29(27)34(33)38/h2-7,14-18,20H,8-13,19,21H2,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 240n/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