BDBM80322 4-allyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::4-prop-2-enyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one::MLS001171023::SMR000588313::US20230365568, Compound 22::cid_2363795

SMILES C=CCn1c2n[nH]c(=S)n2c2ccccc2c1=O

InChI Key InChIKey=HOAFKCJEEQOECV-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 = 80322   

TargetSerine/threonine-protein kinase PLK1(Human)
The United States of America,As Represented By The Secretary,Department of Health and Human Services

US Patent
LigandPNGBDBM80322(SMR000588313 | 4-prop-2-enyl-1-sulfanylidene-2H-[1...)
Affinity DataIC50: 1.31E+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 Depth
Date in BDB:
1/12/2024
Entry Details
US Patent

TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80322(SMR000588313 | 4-prop-2-enyl-1-sulfanylidene-2H-[1...)
Affinity DataIC50: 2.61E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80322(SMR000588313 | 4-prop-2-enyl-1-sulfanylidene-2H-[1...)
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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay