BDBM39397 13-(4-ethylpiperazin-1-yl)carbonyl-10,11-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one::13-(4-ethylpiperazine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinolin-8-one::13-(4-ethylpiperazine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one::13-[(4-ethyl-1-piperazinyl)-oxomethyl]-10,11-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one::13-[(4-ethylpiperazin-1-yl)carbonyl]-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquino[3,2-a]isoquinolin-8-one::MLS000091709::SMR000026256::cid_3243157

SMILES CCN1CCN(CC1)C(=O)C1C2N(CCc3ccccc23)C(=O)c2cc(OC)c(OC)cc12

InChI Key InChIKey=XCRDAZGCMFSDHJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 39397   

TargetGenome polyprotein(WNV)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM39397(cid_3243157 | 13-(4-ethylpiperazin-1-yl)carbonyl-1...)
Affinity DataIC50: 5.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay