BDBM32276 4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thione::MLS000520261::SMR000130674::cid_9550179

SMILES CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12

InChI Key InChIKey=KLIXNRHVVMYARX-UHFFFAOYSA-N

Data  5 EC50

  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 5 hits for monomerid = 32276   

TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32276(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Affinity DataEC50:  3.81E+3nMpH: 7.4 T: 2°CAssay Description:The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32276(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Affinity DataEC50:  1.73E+4nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlutathione S-transferase Mu 1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32276(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Affinity DataEC50:  1.09E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM32276(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Affinity DataEC50:  1.04E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlutathione S-transferase Mu 1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32276(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Affinity DataEC50:  1.10E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay