BDBM42019 2-[4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1-piperazinyl]benzonitrile::2-[4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazino]benzonitrile::2-[4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzenecarbonitrile::2-[4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazin-1-yl]benzonitrile::AS-1029-64::cid_24178283

SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccccc1C#N

InChI Key InChIKey=QJHKNALUPKECBX-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 42019   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42019(2-[4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)...)
Affinity DataIC50: 90nMAssay 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:
5/17/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42019(2-[4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)...)
Affinity DataIC50: 957nMAssay 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