BDBM11318 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione::1,3,8-trihydroxy-6-methylanthra-9,10-quinone::CHEMBL289277::Emodin::US20230364057, Compound 242::med.21724, Compound 24

SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

InChI Key InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N

Data  8 KI  33 IC50  1 EC50

PDB links: 14 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 41 hits for monomerid = 11318   

TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  770nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase II subunit alpha(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of CK2alpha (unknown origin)More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase II subunit alpha(Zea mays (Maize))
University Of Padova

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  1.85E+3nM ΔG°:  -7.74kcal/molepH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...More data for this Ligand-Target Pair
TargetCasein kinase II subunit alpha(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  1.85E+3nM ΔG°:  -7.74kcal/mole IC50:  890nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...More data for this Ligand-Target Pair
TargetCasein kinase II subunit alpha 3(Homo sapiens)
Southeast University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of CK2 (unknown origin)More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Colorado

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi:  2.11E+3nMAssay Description:Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate by double reciproca...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 12(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-2(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  7.60E+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
TargetProtein tyrosine phosphatase type IVA 3(Homo sapiens (Human))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of PRL3 after 1 hr by DiFMUP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein tyrosine phosphatase type IVA 3(Homo sapiens (Human))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of PRL-3-mediated cell migration in human DLD1 cells after 15 hrs by crystal violet staining based microscopic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein tyrosine phosphatase type IVA 3(Homo sapiens (Human))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of PRL-3-mediated cell invasion in human DLD1 cells after 20 hrs using crystal violet staining by Matrigel invasion assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  5.20E+4nMAssay Description:Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 53 uM concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  3.24E+3nMAssay 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 DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  3.73E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in supersomes using 7-ethoxyresorufin O-deethylation as substrate after 5 mins in presence of NADP+ ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  1.23E+4nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in supersomes using 7-ethoxyresorufin O-deethylation as substrate after 5 mins in presence of NADP+ ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase II subunit alpha/beta(Homo sapiens (Human))
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Cibican)

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  580nMAssay Description:Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electroph...More data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University Of Bonn

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  1.00E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
University Of Bonn

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataEC50:  2.00E+5nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  1.69E+4nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM siteMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus type 2)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  7.98E+4nMAssay Description:Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-2(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.09E+4nMAssay Description:Inhibition of trypsin-like activity of human 26S proteasome assessed as decrease in AMC hydrolysis using Ac-Arg-Leu-Arg-AMC as substrate incubated fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-5(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  1.22E+3nMAssay Description:Inhibition of chymotrypsin-like activity of human 26S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteasome subunit beta type-1(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  240nMAssay Description:Inhibition of caspase-like activity of human 26S proteasome assessed as decrease in fluorescence using Z-Nle-Pro-Nle-Asp-aminoluciferin as substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue alpha-L-fucosidase(Bos taurus)
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
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
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50: >1.00E+5nMAssay 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
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
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
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
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
TargetSpike glycoprotein(2019-nCoV)
University Of California San Diego

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of SARS-CoV 2 spike glycoproteinMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  4.32E+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 DepthDetails PubMed
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of recombinant human Pim1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase II subunit alpha(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  3.64E+4nMAssay Description:Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation by fluorometry assay using 40 uM cyano-(6-methoxy-naphthalen-2-yl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  1.85E+4nMAssay Description:Inhibition of p56 lckMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAccessory gene regulator protein A(Staphylococcus aureus)
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  1.71E+4nMAssay Description:Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50: >1.50E+5nMAssay Description:Inhibitory activity against HRV 3Cpro using HPLC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ(Francisella tularensis)
Brookhaven National Laboratory

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  4.31E+4nMpH: 7.0 T: 2°CAssay Description:The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175](Yersinia pestis)
Brookhaven National Laboratory

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.97E+4nMpH: 7.0 T: 2°CAssay Description:The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Colorado

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Affinity DataIC50:  2.69E+3nMAssay Description:Inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate in presence of NADPH by spectroph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed