BDBM59059 4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-pentyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::MLS001171361::SMR000588310::US20230365568, Compound 24::cid_2081016

SMILES CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O

InChI Key InChIKey=YOCBHSHCCGTRNO-UHFFFAOYSA-N

Data  6 IC50  1 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 7 hits for monomerid = 59059   

TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataEC50: >5.00E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataIC50:  1.47E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataIC50: >1.00E+5nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
The United States Of America,As Represented By The Secretary,Department Of Health And Human Services

US Patent
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataIC50:  1.97E+3nMAssay Description:An ELISA-based PBD-binding inhibition assay was performed essentially as described previously. Briefly, a biotinylated PBIP1 p-T78 peptide (i.e., Bio...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataIC50:  1.20E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataIC50: >9.90E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59059(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Affinity DataIC50:  1.60E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay