BDBM50241454 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one::CHEMBL261706::beta-mangostin

SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key InChIKey=YRKKJHJIWCRNCW-UHFFFAOYSA-N

Data  2 KI  5 IC50

  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 7 hits for monomerid = 50241454   

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

Curated by ChEMBL
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataKi:  1.20E+4nMAssay 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
TargetSialidase(Clostridium perfringens)
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataKi:  2.49E+4nMAssay Description:Competitive inhibition of Clostridium perfringens neuraminidase by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProbable maltase-glucoamylase 2(Homo sapiens)
University Of Wollongong

Curated by ChEMBL
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataIC50:  2.26E+4nMAssay Description:Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl alpha-D-glucoside as substrate preincubated for 0.5 hrs followed substrate addit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase(Clostridium perfringens)
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataIC50:  6.07E+4nMAssay Description:Inhibition of Clostridium perfringens neuraminidase by fluorometryMore 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
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataIC50:  7.50E+3nMAssay Description:Inhibition of p50 after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid synthase(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataIC50:  2.48E+4nMAssay Description:Inhibition of FASMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranscription factor p65(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50241454(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Affinity DataIC50:  1.21E+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