BDBM50088360 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one::2,3,4,6-tetrahydroxy-5H-benzocycloheptene-5-one::2,3,4,6-tetrahydroxybenzocyclohepten-5-one::CHEMBL66953::Hit compound, 2::Purpurogallin::purpurogalline

SMILES Oc1cc2cccc(O)c(=O)c2c(O)c1O

InChI Key InChIKey=WDGFFVCWBZVLCE-UHFFFAOYSA-N

Data  9 IC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50088360   

TargetCyclin-dependent kinase 2(Human)
Moffitt Cancer Center

LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 1.70E+4nMAssay Description:The inhibitory against activated CDK2-cyclin A2 complex was determined by using the ADP Quest fluorescence assay from (DiscoveRX, Fremont, CA)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 1.70E+4nMAssay Description:Competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIntegrase(Human immunodeficiency virus type 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Institute

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibitory concentration against Bcl-xlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2019
Entry Details Article
PubMed
TargetAlpha-synuclein(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 1.29E+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
TargetPhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of 2-FAM-InsP5 binding to human SHIP2 catalytic domain (419 to 832 residues) assessed as change in polarization by fluorescence polarizati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetPhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 8.90E+4nMAssay Description:Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase activity assessed as phosphate release using Ins(1,3,4,5)P4 as substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetPhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50088360(Purpurogallin | purpurogalline | 2,3,4,6-tetrahydr...)
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase activity assessed as inhibition of Ins(1,3,4,5)P4 production using Ins(1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed