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::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-NQIIRXRSSA-N

Data  1 KI  11 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 12 hits for monomerid = 50236531   

TargetApoptosis regulator Bcl-2(Homo sapiens (Human))TBA
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
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
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
Oregon State University

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of MET kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
University Of Zurich

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  500nMAssay Description:Inhibition of FabIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(Plasmodium falciparum)
University Of Zurich

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  600nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxoacyl-acyl-carrier protein reductase(Plasmodium falciparum)
University Of Zurich

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of FabGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
Avanti Biosciences

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
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
TargetGlucose-6-phosphate 1-dehydrogenase(Saccharomyces cerevisiae S288c)
Amorepacific

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  230nMAssay Description:Inhibition of yeast G6PDMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNonstructural protein 3(Zika virus)
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
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 ArticlePubMed
TargetProteasome subunit beta type-5(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
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 ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
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 ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Montclair State University

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  3.40E+4nMAssay Description:Inhibition of HSP90 (unknown origin) by luciferase refolding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target6-phosphogluconate dehydrogenase, decarboxylating(Homo sapiens (Human))
Amorepacific

Curated by ChEMBL
LigandPNGBDBM50236531((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)
Affinity DataIC50:  1.45E+3nMAssay Description:Inhibition of 6PGDMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed