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SMILES: Fc1ccc(cc1C(=O)OCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=PDUNDGYJGOEJHR-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 39378   
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
Genome polyprotein


(West Nile virus)		BDBM39378
PNG
(2-(1,3-dioxoisoindol-2-yl)ethyl 2-fluoro-5-morphol...)
Show SMILES Fc1ccc(cc1C(=O)OCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H19FN2O7S/c22-18-6-5-14(32(28,29)23-7-10-30-11-8-23)13-17(18)21(27)31-12-9-24-19(25)15-3-1-2-4-16(15)20(24)26/h1-6,13H,7-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair