BDBM42012 3-[6-keto-6-[4-(4-pyridyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one::3-[6-oxidanylidene-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[6-oxo-6-(4-pyridin-4-yl-1-piperazinyl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[6-oxo-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one::AS-1001-45a::cid_24178274

SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccncc1

InChI Key InChIKey=CXQAJWJXWIRDIN-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 42012   

TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42012(3-[6-keto-6-[4-(4-pyridyl)piperazino]hexyl]-2-thio...)
Affinity DataIC50:  30nMAssay 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