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BDBM39338 ANISOTROPINE METHYLBROMIDE::MLS000028664::SMR000058851::cid_657201

SMILES: CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C

InChI Key: InChIKey=XGGHHHBGPSNXFE-XYPWUTKMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 39338   
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)
BDBM39338
PNG
(ANISOTROPINE METHYLBROMIDE | MLS000028664 | SMR000...)
Show SMILES CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C
Show InChI InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+7n/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)

More data for this
Ligand-Target Pair