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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   Substructure
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(West Nile virus)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM39379(MLS000053522 | SMR000064233 | [4-(2,3-dimethylphen...)
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 DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39379(MLS000053522 | SMR000064233 | [4-(2,3-dimethylphen...)
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 DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39379(MLS000053522 | SMR000064233 | [4-(2,3-dimethylphen...)
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 DepthDetails PCBioAssay
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39379(MLS000053522 | SMR000064233 | [4-(2,3-dimethylphen...)
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 DepthDetails PCBioAssay