BDBM47591 (6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate::(6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate::MLS000722997::SMR000236387::acetic acid (6'-acetoxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester::acetic acid (6'-acetyloxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester::cid_65047
SMILES: CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
InChI Key: InChIKey=CHADEQDQBURGHL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
glutathione S-transferase (Homo sapiens (Human)) | BDBM47591 ((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BZLF2 (Human herpesvirus 4 type 2) | BDBM47591 ((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.64E+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: Theodore Jardetzky; Northw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LANA (Human herpesvirus 8) | BDBM47591 ((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | <60 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-lactamase (Salmonella enterica subsp. enterica serovar Choler...) | BDBM47591 ((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE 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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NG4P3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM47591 ((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE 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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HT2MRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta lactamase (Pseudomonas aeruginosa) | BDBM47591 ((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 3.98E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2S75DSB | |||||||||||
More data for this Ligand-Target Pair |