BDBM50214969 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one::1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one::1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone::CHEMBL323197::Mangostin::alpha-mangostin

SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key InChIKey=MJVPROLIBBFFFH-UHFFFAOYSA-N

Data  4 KI  27 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50214969   

Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ(Francisella tularensis)
Brookhaven National Laboratory

LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 7.70E+3nMpH: 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
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of LSD1 (unknown origin) by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSphingomyelin phosphodiesterase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of aSMase (unknown origin) by fluorescence based analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Minia University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of human SIRT2 using sirtuin substrate incubated for 30 mins by enzymatic fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetStimulator of interferon genes protein(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKd:  1.37E+5nMAssay Description:Binding affinity to human STING assessed as dissociation constant by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSolute carrier family 22 member 12(Human)
Kunming Medical University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 5.90E+4nMAssay Description:Inhibition of human URAT1-mediated [8-14C]uric acid uptake expressed in HEK293 cells using [8-14C]uric acid as substrate by liquid scintillation coun...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of KDM1A (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetStimulator of interferon genes protein(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKd:  1.57E+5nMAssay Description:Binding affinity to C-terminal domain human STING (139 to 379 residues) assessed as dissociation constant by DSF methodMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetPhosphoglycerate mutase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of PGAM1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Guangzhou University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.31E+3nMAssay Description:Inhibition of human PDE4D2 (86 to 413 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSphingomyelin phosphodiesterase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMAP/microtubule affinity-regulating kinase 4(Human)
Jamia Millia Islamia University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.77E+3nMAssay Description:Inhibition of recombinant human MARK4 incubated for 2 hrs by [gamma32P]ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxidized purine nucleoside triphosphate hydrolase(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 470nMAssay Description:Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStimulator of interferon genes protein(Mouse)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKd:  1.37E+5nMAssay Description:Binding affinity to mouse STING by ITC assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProbable maltase-glucoamylase 2(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measured for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSialidase(Clostridium perfringens)
Graduate School of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.22E+4nMAssay Description:Inhibition of Clostridium perfringens neuraminidase by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175](Yersinia pestis)
Brookhaven National Laboratory

LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 6.10E+3nMpH: 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
PubMed
TargetFatty acid synthase(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 5.54E+3nMAssay Description:Inhibition of FASMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSphingomyelin phosphodiesterase 2(Human)
Keio University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.14E+5nMAssay Description:Inhibitory activity against NSMase (neutral sphingomyelinase)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSphingomyelin phosphodiesterase [1-45,48-631](Human)
Keio University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibitory activity against Acid sphingomyelinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAromatase(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 2.07E+4nMAssay Description:Inhibition of aromatase in human placental microsomesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear factor NF-kappa-B p105 subunit(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of p50 after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscription factor p65(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.59E+4nMAssay Description:Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSphingomyelin phosphodiesterase(Bovine)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of bovine brain-derived acidic sphingomyelinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscription factor p65(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human 15-hLO2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of human 15-hLO1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX12(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 580nMAssay Description:Inhibition of human 12-hLOMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSphingomyelin phosphodiesterase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataIC50: 2.47E+4nMAssay Description:Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKi:  2.85E+3nMAssay Description:Competitive inhibition of IDH1-R132H mutant (unknown origin) using a-ketoglutarate and NADPH as substrate by steady state kinetic analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKi:  3.20E+3nMAssay Description:Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSialidase(Clostridium perfringens)
Graduate School of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKi:  5.80E+3nMAssay Description:Competitive inhibition of Clostridium perfringens neuraminidase by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProbable maltase-glucoamylase 2(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(Mangostin | alpha-mangostin | 1,3,6-Trihydroxy-7-m...)
Affinity DataKi:  7.30E+3nMAssay Description:Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed