BDBM32101 4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1,3-benzoxathiol-5-yl]benzenesulfonamide::4-ethoxy-N-[2-oxidanylidene-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide::4-ethoxy-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide::4-ethoxy-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylthio)-1,3-benzoxathiol-5-yl]benzenesulfonamide::4-ethoxy-N-[2-oxo-7-(4H-1,2,4-triazol-3-ylthio)-1,3-benzoxathiol-5-yl]benzenesulfonamide::MLS000043619::SMR000020635::cid_3244674

SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1

InChI Key InChIKey=KIICIEDZFADFBK-UHFFFAOYSA-N

Data  7 IC50  2 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 9 hits for monomerid = 32101   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50:  3.23E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
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TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50:  2.53E+3nMpH: 8.0 T: 2°CAssay Description:A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataEC50:  6.58E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
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TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataEC50:  1.46E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase 1(Rattus norvegicus (Rat))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50:  5.37E+3nMAssay 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
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TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAlkaline phosphatase, germ cell type(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32101(4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1...)
Affinity DataIC50:  2.08E+4nMAssay Description:A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay