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BDBM50451259 CHEMBL4209293

SMILES: [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O

InChI Key: InChIKey=HTRDBGSXRBSWNW-UHFFFAOYSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451259   
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(...)		BDBM50451259
PNG
(CHEMBL4209293)
Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
Show InChI InChI=1S/C30H28FN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)25-5-3-2-4-24(25)31)21-14-26-22-15-28-27(37-18-38-28)12-19(22)6-7-34(26)17-23(21)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 5.20E+3n/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