BDBM50236531 (-)-gallocatechin gallate::(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate::CHEMBL264938::Gallocatechin 3-O-gallate::US20240336588, Compound 4::gallocatechin gallate

SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=WMBWREPUVVBILR-UHFFFAOYSA-N

Data  1 KI  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50236531   

TargetNonstructural protein 3(ZIKV)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 9.90E+4nMAssay Description:Inhibition of Zika virus NS2B (1421 to 1469 residues) - NS3 (1503 to 1688 residues) expressed in Escherichia coli BL21(DE3) cells using Dabcyl-KTSAVL...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNAD-dependent protein deacylase sirtuin-6(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of GST-tagged SIRT6 (unknown origin) deacetylase activity using H3K9Ac peptide substrate by reversed-phase HPLCMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Human)
AVANTI BIOSCIENCES INC.

US Patent
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 100nMAssay Description:DYRK1A assay. Substrate, HT-PRD (Proline rich domain, residues 746-864 of dynamin 1a, prepared as N-terminal tagged 6×His fusion protein), was dilute...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
AVANTI BIOSCIENCES INC.

US Patent
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 100nMAssay Description:DYRK1A assay. Substrate, HT-PRD (Proline rich domain, residues 746-864 of dynamin 1a, prepared as N-terminal tagged 6×His fusion protein), was dilute...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAlpha-synuclein(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of recombinant human Alpha-synuclein aggregation expressed in Escherichia coli incubated for 72 hrs by ThT fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Fuzhou University

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 1.99E+3nMAssay Description:Inhibition of human GST-tagged MUS81-ECE1 expressed in Escherichia coli BL21(DE3)Rosetta2 cells incubated for 15 mins by FRET based assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
AVANTI BIOSCIENCES INC.

US Patent
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 121nMAssay Description:Inhibition of DYRK1A (unknown origin) using HT-497 as substrate preincubated with compound followed by substrate addition and measured after 30 mins ...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAlpha-synuclein(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluor...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProteasome subunit beta type-5(Human)
Institute of Agricultural and Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 187nMAssay Description:Inhibition of chymotrypsin-like activity of purified human 20S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as sub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Montclair State University

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of HSP90 (unknown origin) by luciferase refolding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Baker's yeast)
Amorepacific

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 230nMAssay Description:Inhibition of yeast G6PDMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of 6PGDMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of FabGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 600nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 500nMAssay Description:Inhibition of FabIMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHepatocyte growth factor receptor(Human)
Oregon State University

Curated by ChEMBL
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MET kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236531((2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3...)
Affinity DataKi:  235nMAssay Description:Displacement of NLWAAQRYGRELRRMSD-K(FITC)-FVD from Bcl-2 (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article