BDBM50135169 (-)-Catechin gallate::(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::3,4,5-Trihydroxy-benzoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL129451::US20240336588, Compound 7

SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1

InChI Key InChIKey=LSHVYAFMTMFKBA-UHFFFAOYSA-N

Data  4 KI  14 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 18 hits for monomerid = 50135169   

TargetBeta-secretase 1(Human)
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of human Beta-secretase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNAD-dependent protein deacylase sirtuin-6(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 2.50E+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 Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetNAD-dependent protein deacylase sirtuin-6(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of GST-SIRT6 (unknown origin) assessed as deacetylation reaction using calf thymus histone as substrate by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
Avanti Biosciences

US Patent
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
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 Depth
Date in BDB:
2/10/2025
Entry Details
Go to US Patent

TargetPyruvate kinase PKM(Human)
Central University of Punjab

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 850nMAssay Description:Inhibition of recombinant PKM2 (unknown origin) Ser362, Ser205, Gly128, Lys207, Asp177, Hie84, Arg120, Ile51, Lys367 residuesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
Avanti Biosciences

US Patent
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 220nMAssay 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 Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetAlpha-synuclein(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 2.14E+4nMAssay 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 Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetProteasome subunit beta type-5(Human)
Institute of Agricultural and Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 124nMAssay 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 Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 300nMAssay Description:Inhibition of Plasmodium falciparum FabIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of 6PGDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Baker's yeast)
Amorepacific

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 240nMAssay Description:Inhibition of yeast G6PDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 400nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 300nMAssay Description:Inhibition of FabIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of FabGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataKi:  40nMAssay Description:Inhibition of FabIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of FabG in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50135169((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-...)
Affinity DataKi:  6.40E+3nMAssay Description:Inhibition of FabG in presence of acetoacetyl-CoAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed