null

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

InChI Key InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N

PDB links: 14 PDB IDs match this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 45 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...)copy SMILEScopy InChI
Affinity DataKi:  770nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29P325HPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q29P325HPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of CK2alpha (unknown origin)More data for this Ligand-Target Pair
TargetCasein kinase II subunit alpha(Zea mays (Maize))
University of Padova

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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)TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CN75T2PubMed
TargetP2Y purinoceptor 12(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3FZFPubMed
TargetSialidase-2(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26110F1PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of PRL3 after 1 hr by DiFMUP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K074QMPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2K074QMPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2K074QMPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q29P325HPubMed
TargetNeutrophil elastase(Homo sapiens (Human))
School of Chemistry and Biochemistry

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2QN67D7PubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q29P325HPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CN75T2PubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+5nMMore 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
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9ST6PubMed
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataEC50:  2.00E+5nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9ST6PubMed
TargetGenome polyprotein(Dengue virus type 2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ST7SNQPubMed
TargetGenome polyprotein(Dengue virus type 2)
University of Basel

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ST7SNQPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ST7TB3PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ST7TB3PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ST7TB3PubMed
TargetTissue alpha-L-fucosidase(Bos taurus)TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2KW5KN9PubMed
TargetTransthyretin(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2222ZH0PubMed
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 1.25E+5nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 1.25E+5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P93C8PubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 4.32E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27948Q4PubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 3.24E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27948Q4PubMed
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
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 1.22E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1B1(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 3.73E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 4.53E+3nMMore data for this Ligand-Target Pair
In DepthDetails
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...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of recombinant human Pim1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2PubMed
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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2M61N3VPubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 1.85E+4nMAssay Description:Inhibition of p56 lckMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J966CCPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q21V5GJDPubMed
TargetGenome polyprotein(Human rhinovirus B)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+5nMAssay Description:Inhibitory activity against HRV 3Cpro using HPLC assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43SDGPubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ(Francisella tularensis)
Brookhaven National Laboratory

LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CN72P1PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CN72P1PubMed
TargetCytochrome P450 1A2(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
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed