BDBM39379 MLS000053522::SMR000064233::[4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone::[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone::[4-(2,3-dimethylphenyl)piperazino]-(2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone::cid_2998045

SMILES CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(CC1)c1cccc(C)c1C

InChI Key InChIKey=LHGYTJDRSKZZAJ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39379   

TargetGenome polyprotein(WNV)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM39379([4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-ethylsul...)
Affinity DataIC50: 3.86E+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
TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39379([4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-ethylsul...)
Affinity DataIC50: 8.00E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39379([4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-ethylsul...)
Affinity DataIC50: 2.96E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39379([4-(2,3-dimethylphenyl)-1-piperazinyl]-(2-ethylsul...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay