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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 16 hits for monomerid = 50117090
Affinity DataIC50: 2.00E+4nMAssay Description:Displacement of [125I]DPCPX from adenosine A1 receptor in rat brainMore data for this Ligand-Target Pair
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Human)
University of Mississippi
Curated by ChEMBL
University of Mississippi
Curated by ChEMBL
Affinity DataEC50: 5.70E+3nMAssay Description:Activation of PPARgamma transfected in human MCF7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human GalE by HPAEC assayMore data for this Ligand-Target Pair
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
Affinity DataIC50: 18.6nMAssay Description:Inhibition of semi-purified DNMT1More data for this Ligand-Target Pair
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
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
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
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
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
Shenyang Pharmaceutical University
Curated by ChEMBL
Shenyang Pharmaceutical University
Curated by ChEMBL
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
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
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
TargetSortase family protein(Staphylococcus aureus)
Indian Institute of Technology Delhi
Curated by ChEMBL
Indian Institute of Technology Delhi
Curated by ChEMBL
Affinity DataIC50: 4.74E+4nMAssay Description:Inhibition of Staphylococcus aureus SrtA using EDANS-Dabcyl as substrate by FRET assayMore data for this Ligand-Target Pair