BDBM50117090 (E,E)-Psammaplin A::3-(3-Bromo-4-hydroxy-phenyl)-N-(2-{2-[3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propionylamino]-ethyldisulfanyl}-ethyl)-2-[(E)-hydroxyimino]-propionamide::3-(3-Bromo-4-hydroxy-phenyl)-N-(2-{2-[3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propionylamino]-ethyldisulfanyl}-ethyl)-2-hydroxyimino-propionamide::3-(3-Bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[(E)-hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[(E)-hydroxyimino]-propionamide::3-(3-bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[hydroxyimino]-propionamide::CHEMBL83747::Psammaplin A

SMILES Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br

InChI Key InChIKey=GLBYQIQGWFGGQH-UHFFFAOYSA-N

Data  15 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50117090   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.00E+4nMAssay Description:Displacement of [125I]DPCPX from adenosine A1 receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSortase family protein(Staphylococcus aureus)TBA
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  4.74E+4nMAssay Description:Effective concentration against HIV-1 T215Y strain (AZT) reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
University Of Mississippi

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataEC50:  5.70E+3nMAssay Description:Activation of PPARgamma (unknown origin) transfected in human MCF7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucose 4-epimerase(Homo sapiens (Human))
University Of Dundee

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of human GalE by HPAEC assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  18.6nMAssay Description:Inhibition of semi-purified DNMT1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  45nMAssay Description:Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  50nMAssay Description:Inhibition of HDAC in human HeLa cells using Fluor deLys as substrate assessed as deacetylation of substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  50nMAssay Description:Inhibition of HDAC in human HeLa cells using Fluor deLys as substrate assessed as deacetylation of substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  311nMAssay Description:Inhibition of recombinant full length C-terminal FLAG-tagged human HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  12nMAssay Description:Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  33nMAssay Description:Inhibition of recombinant full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  8nMAssay Description:Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed