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(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetLarge T antigen(SV40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetAndrogen receptor(Human)
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM39612(CHEMBL240331 | SMR000024571 | cid_706562 | 2-{[2-(...)
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 Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed