BDBM50241453 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one::CHEMBL260553::gamma-mangostin

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

InChI Key InChIKey=VEZXFTKZUMARDU-UHFFFAOYSA-N

Data  4 KI  12 IC50

PDB links: 2 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 16 hits for monomerid = 50241453   

TargetSialidase(Clostridium perfringens)
Graduate School of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataKi:  800nMAssay Description:Competitive inhibition of Clostridium perfringens neuraminidase by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProbable maltase-glucoamylase 2(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataKi:  1.40E+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

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataKi:  2.70E+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

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataKi:  3.17E+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

TargetProstaglandin G/H synthase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  800nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin G/H synthase 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProbable maltase-glucoamylase 2(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  1.70E+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(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  2.80E+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

TargetOxidized purine nucleoside triphosphate hydrolase(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  2.00E+3nMAssay 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 ArticlePubMed

TargetPhosphoglycerate mutase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of PGAM1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  1.00E+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
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetSialidase(Clostridium perfringens)
Graduate School of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of Clostridium perfringens neuraminidase by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAromatase(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibition of aromatase in human placental microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNAD-dependent protein deacetylase sirtuin-2(Human)
Minia University

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  3.80E+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

TargetFatty acid synthase(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  1.24E+3nMAssay Description:Inhibition of FASMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAromatase(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50241453(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Affinity DataIC50:  4.97E+3nMAssay Description:Inhibition of aromatase overexpressed in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed