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=GNRIZKKCNOBBMO-UHFFFAOYSA-N

Data  4 KI  23 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50214969   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Dongguk University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetSialidase(Clostridium perfringens)
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataKi:  5.80E+3nMAssay Description:Competitive inhibition of Clostridium perfringens neuraminidase by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProbable maltase-glucoamylase 2(Homo sapiens)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetSphingomyelin phosphodiesterase [1-45,48-631](Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  1.26E+4nMAssay Description:Inhibitory activity against Acid sphingomyelinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  2.07E+4nMAssay Description:Inhibition of aromatase in human placental microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor NF-kappa-B p105 subunit(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of p50 after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranscription factor p65(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetSialidase(Clostridium perfringens)
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  1.22E+4nMAssay Description:Inhibition of Clostridium perfringens neuraminidase by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranscription factor p65(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human 15-hLO2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  3.10E+3nMAssay Description:Inhibition of human 15-hLO1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX12(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  580nMAssay Description:Inhibition of human 12-hLOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingomyelin phosphodiesterase(Homo sapiens)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetSphingomyelin phosphodiesterase(Bos taurus)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  1.41E+4nMAssay Description:Inhibition of bovine brain-derived acidic sphingomyelinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProbable maltase-glucoamylase 2(Homo sapiens)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetStimulator of interferon genes protein(Mus musculus)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataKd:  1.37E+5nMAssay Description:Binding affinity to mouse STING by ITC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxidized purine nucleoside triphosphate hydrolase(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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
TargetMAP/microtubule affinity-regulating kinase 4(Homo sapiens (Human))
Jamia Millia Islamia University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetSphingomyelin phosphodiesterase(Homo sapiens)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
TargetPhosphoglycerate mutase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of PGAM1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStimulator of interferon genes protein(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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
TargetSphingomyelin phosphodiesterase 2(Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  1.14E+5nMAssay Description:Inhibitory activity against NSMase (neutral sphingomyelinase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid synthase(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  5.54E+3nMAssay Description:Inhibition of FASMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Affinity DataIC50:  2.81E+3nMAssay Description:Inhibition of KDM1A (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175](Yersinia pestis)
Brookhaven National Laboratory

LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ(Francisella tularensis)
Brookhaven National Laboratory

LigandPNGBDBM50214969(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
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 ArticlePubMed