BDBM68096 3-(1-benzylpropyl)-2-thioxo-1H-quinazolin-4-one::3-(1-benzylpropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one::3-(1-phenylbutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one::MLS000661036::SMR000310674::cid_3432011

SMILES CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O

InChI Key InChIKey=VWEKHUGVXIUUKR-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 68096   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68096(3-(1-phenylbutan-2-yl)-2-sulfanylidene-1H-quinazol...)
Affinity DataIC50: 570nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68096(3-(1-phenylbutan-2-yl)-2-sulfanylidene-1H-quinazol...)
Affinity DataIC50: 570nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68096(3-(1-phenylbutan-2-yl)-2-sulfanylidene-1H-quinazol...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay