BDBM67454 1,2,4-trihydroxy-9,10-anthraquinone::1,2,4-trihydroxyanthracene-9,10-dione::1,2,4-tris(oxidanyl)anthracene-9,10-dione::MLS002473304::SMR001306802::cid_6683::hsp90_173::purpurin

SMILES c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O

InChI Key InChIKey=BBNQQADTFFCFGB-UHFFFAOYSA-N

Data  2 KI  18 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 67454   

TargetFemale germline-specific tumor suppressor gld-1(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 6.69E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDeath-associated protein kinase 1(Human)
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 890nMAssay Description:Inhibition of DAPK1 (1 to 285 residues) (unknown origin) expressed in Escherichia coli using KKLNRTLSFAEPG as substrate in presence of ATP by fluoro-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Shanghai Veterinary Research Institute

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 300nMAssay Description:Inhibition of Acetylcholinesterase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 4.02E+4nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by fluorescence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 7.99E+3nMAssay Description:Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by fluorescence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
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 Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in Escherichia coli coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in Escherichia coli coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetCell division protein FtsZ(Bacillus subtilis)
National Institute of Technology Calicut

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataKd:  5.20E+3nMAssay Description:Binding affinity to Bacillus subtilis FtsZ assessed as dissociation constant of intrinsic tryptophan quenching incubated for 30 mins by double recipr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetCell division protein FtsZ(Escherichia coli (strain K12))
National Institute of Technology Calicut

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataKd:  1.10E+4nMAssay Description:Binding affinity to Escherichia coli BL21 FtsZ assessed as dissociation constant of hydrophobic probe ANS-FtsZ complex fluorescence quenching incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2019
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2019
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
D3R/Abbott

LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 5.56E+3nMAssay Description:FRET Assay 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R

TargetProtein Rev(Human immunodeficiency virus type 1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataIC50: 7.54E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataKi:  422nMAssay Description:Competitive inhibition of recombinant human MAO-A using 0.01 to 0.5 mM kynuramine substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2019
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM67454(MLS002473304 | purpurin | 1,2,4-tris(oxidanyl)anth...)
Affinity DataKi:  700nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in Escherichia coli coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed