BDBM50241052 1,2,3,4,6-Pgg::1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose::1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose::CHEMBL382408::acs.jmedchem.1c00409_ST.650::beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)

SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-N

Data  4 KI  19 IC50

  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 23 hits for monomerid = 50241052   

TargetCoagulation factor X(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataKi:  570nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAlpha-amylase 1A(Human)
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataKi:  2.60E+3nMAssay Description:Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Bovine)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataKi:  3.90E+3nMAssay Description:Inhibition of bovine thrombin by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataKi:  5.13E+3nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Bovine)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  110nMAssay Description:Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAlpha-amylase 1A(Human)
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  2.35E+3nMAssay Description:Inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetXanthine dehydrogenase/oxidase(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of cow milk xanthine oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Vienna

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of human recombinant PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
University of Vienna

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  70nMAssay Description:Inhibition of TCPTPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Peking University

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibitory activity against Hepatitis C virus NS3 protease by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSqualene monooxygenase(Rat)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  470nMAssay Description:Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibitory activity against protein kinase C (PKC)More data for this Ligand-Target Pair
In DepthDetails Article

TargetIntegrase(Human immunodeficiency virus type 1)
Korea Institute of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  2.97E+4nMAssay Description:Inhibition of HIV1 recombinant integrase expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAnthrax toxin receptor 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  300nMAssay Description:Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAnthrax toxin receptor 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  607nMAssay Description:Inhibition of AF488-labelled PA binding to AF546- labelled GST-tagged CMG2 R40C/C178A double mutant (unknown origin) expressed in Escherichia coli BL...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  2.78E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5'-nucleotidase(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  1.05E+4nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5'-nucleotidase(Mouse)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of mouse CD73More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Bovine)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  50nMAssay Description:Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor X(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  170nMAssay Description:Inhibition of human factor 10a-catalyzed hydrolysis of S-2222More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetEctonucleoside triphosphate diphosphohydrolase 1(Mouse)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  1.56E+3nMAssay Description:Inhibition of mouse CD39More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeuraminidase(Influenza A virus)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  1.19E+4nMAssay Description:Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50241052(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Affinity DataIC50:  3.76E+3nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed