BDBM32021 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid::4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid::4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid::4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid::MLS000069639::RHEIN::SMR000058210::US20230364057, Compound 82::US9238626, Rhein::cid_10168

SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

InChI Key InChIKey=FCDLCPWAQCPTKC-UHFFFAOYSA-N

Data  24 IC50  1 Kd  2 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 32021   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  3.34E+3nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Homo sapiens (Human))TBA
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  2.10E+4nMAssay Description:Displacement of ssDNA from FTO (unknown origin)More data for this Ligand-Target Pair
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataEC50:  2.92E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
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TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataEC50:  2.16E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPlectin(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  3.21E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPlectin(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.56E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMitochondrial peptide methionine sulfoxide reductase(Bos taurus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50: >1.55E+5nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Universit?? Pierre Et Marie Curie

LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataKd:  9.60E+3nMpH: 7.5 T: 2°CAssay Description:We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50: >1.00E+4nMpH: 8.0 T: 2°CAssay Description:AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.70E+4nMpH: 8.0 T: 2°CAssay Description:BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  637nMpH: 8.0 T: 2°CAssay Description:AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAcetylcholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-2(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.30E+5nMAssay Description:Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  8.40E+4nMAssay Description:Inhibition of rat liver cytosolic TrxR1 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThioredoxin reductase 2, mitochondrial(Rattus norvegicus)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.23E+5nMAssay Description:Inhibition of rat liver mitochondrial TrxR2 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue alpha-L-fucosidase(Bos taurus)
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.20E+4nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase inhibitor()
The Florida International University Board of Trustees

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.25E+5nMAssay Description:SDFQ HTS primary assay using pAB1_FL905 was performed in 2 µL of (1 xDNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDNA gyrase inhibitor()
The Florida International University Board of Trustees

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.25E+5nMAssay Description:SDFQ HTS primary assay using pAB1_FL905 was performed in 2 µL of (1 xDNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetRNA demethylase ALKBH5(Homo sapiens)TBA
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  9.96E+3nMAssay Description:Inhibition of ALKBH5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Homo sapiens (Human))TBA
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  2.10E+4nMAssay Description:Displacement of ssDNA with ATTGTCA (m6A) CAGCAGA-FAM from human FTO measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Homo sapiens (Human))TBA
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  2.18E+3nMAssay Description:Inhibition of FTO (unknown origin) demethylation activity using m6A7-Broccoli RNA as substrate incubated for 3 mins under shaking condition and measu...More data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase AlkB(Escherichia coli (strain K12))TBA
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.27E+4nMAssay Description:Inhibition of Escherichia coli AlkB by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDNA oxidative demethylase ALKBH2(Homo sapiens)TBA
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  9.10E+3nMAssay Description:Inhibition of human ALKBH2 by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of human ALKBH3 by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.96E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay