null
SMILES: CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
InChI Key: InChIKey=TYNLGDBUJLVSMA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 9.23E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ... | Citation and Details Article DOI: 10.1016/j.bmc.2021.116292 BindingDB Entry DOI: 10.7270/Q2222ZH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Female germline-specific tumor suppressor gld-1 (Caenorhabditis elegans) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 7.31E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QC01ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.48E+4 | 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) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 7.89E+3 | 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) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >9.90E+4 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >9.90E+4 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Curated by ChEMBL | Assay Description Time dependent inhibition of recombinant human NAAA expressed in HEK293 cells by liquid scintillation counting method | J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Curated by ChEMBL | Assay Description Time dependent inhibition of recombinant human NAAA expressed in HEK293 cell membranes using [14C]-PEA as substrate by liquid scintillation counting ... | J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human)) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of NAAA (unknown origin) | J Med Chem 63: 7475-7490 (2020) Article DOI: 10.1021/acs.jmedchem.0c00191 BindingDB Entry DOI: 10.7270/Q2V98CM4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Rev (Human immunodeficiency virus 1) | BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >7.54E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29W0CZG | |||||||||||
More data for this Ligand-Target Pair |