BDBM39612 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one::2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one::2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1H-quinazolin-4-one::2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-1H-quinazolin-4-one::2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio}quinazolin-4(3H)-one::CHEMBL240331::MLS000089953::SMR000024571::cid_706562

SMILES Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1

InChI Key InChIKey=HMNDONBLFVVXGP-UHFFFAOYSA-N

Data  10 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 11 hits for monomerid = 39612   

TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  2.34E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...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
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  9.59E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  337nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  4.62E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum 3D7)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  1.46E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Displacement of 5-iodoacetamidofluorescein labeled SRC23 peptide CKENALLRYLLDKDD human androgen receptor AF2 site expressed in Escherichia coli BL21 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlkaline phosphatase, germ cell type(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataEC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...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
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  1.07E+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
TargetM17 leucyl aminopeptidase(Plasmodium falciparum 3D7)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  1.30E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50:  5.00E+4nMAssay Description:Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39612(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Affinity DataIC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay