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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q29C6VTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 9.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MS3R5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Displacement of 5-iodoacetamidofluorescein labeled SRC23 peptide CKENALLRYLLDKDD human androgen receptor AF2 site expressed in Escherichia coli BL21 ... | J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 9.99E+5 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RV0M49 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
large T antigen (Simian virus 40) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M61HQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana... | J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM39612 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704 | |||||||||||
More data for this Ligand-Target Pair |