null

SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O

InChI Key InChIKey=BBNQQADTFFCFGB-UHFFFAOYSA-N

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 20 hits for monomerid = 67454   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67K5KPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
D3R

LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
Affinity DataIC50: 5.56E+3nMAssay Description:FRET Assay 1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VX0FC0PubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67K5KPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67K5KPubMed
TargetCell division protein FtsZ(Escherichia coli)TBA
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
Affinity DataKd:  1.10E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCell division protein FtsZ(Bacillus subtilis)TBA
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
Affinity DataKd:  5.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25T3P2RPubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8C33PubMed
TargetTransthyretin(Homo sapiens (Human))TBA
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
Affinity DataIC50: 7.99E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27948Q4PubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
Affinity DataIC50: 4.02E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27948Q4PubMed
TargetProtein Rev(Human immunodeficiency virus 1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q29W0CZGPCBioAssay
TargetFemale germline-specific tumor suppressor gld-1(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2QC01ZWPCBioAssay