null
SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
InChI Key InChIKey=VFLDPWHFBUODDF-FCXRPNKRSA-N
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 128 hits for monomerid = 50140172
Affinity DataKi: 5nMAssay Description:Inhibition of human erythrocyte Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysisMore data for this Ligand-Target Pair
TargetCDGSH iron-sulfur domain-containing protein 1(Homo sapiens (Human))
West Virginia University
Curated by ChEMBL
West Virginia University
Curated by ChEMBL
Affinity DataKi: 101nMAssay Description:Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Birla Institute of Technology
Curated by ChEMBL
Birla Institute of Technology
Curated by ChEMBL
Affinity DataKi: 710nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...More data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University of Chemistry and Technology Prague
Curated by ChEMBL
University of Chemistry and Technology Prague
Curated by ChEMBL
Affinity DataKi: 5.80E+3nMAssay Description:Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 ...More data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 3(Homo sapiens)
University of Chemistry and Technology Prague
Curated by ChEMBL
University of Chemistry and Technology Prague
Curated by ChEMBL
Affinity DataKi: 8.60E+3nMAssay Description:Inhibition of human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Birla Institute of Technology
Curated by ChEMBL
Birla Institute of Technology
Curated by ChEMBL
Affinity DataKi: 2.15E+4nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...More data for this Ligand-Target Pair
Affinity DataKi: 5.08E+4nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 2(Homo sapiens)
University of Chemistry and Technology Prague
Curated by ChEMBL
University of Chemistry and Technology Prague
Curated by ChEMBL
Affinity DataKi: 5.30E+4nMAssay Description:Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m...More data for this Ligand-Target Pair
Affinity DataKi: 6.50E+4nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 9.77E+4nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 6.90E+4nMAssay Description:A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate sp...More data for this Ligand-Target Pair
Affinity DataIC50: 8.65E+3nMT: 2°CAssay Description:The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...More data for this Ligand-Target Pair
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of recombinant human p300 catalytic domain (1284 to 1673 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation c...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of recombinant p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillat...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of recombinant CBP (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillati...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Alma Mater Studiorum - University of Bologna
Curated by ChEMBL
Alma Mater Studiorum - University of Bologna
Curated by ChEMBL
Affinity DataIC50: 3.43E+5nMAssay Description:Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Alma Mater Studiorum - University of Bologna
Curated by ChEMBL
Alma Mater Studiorum - University of Bologna
Curated by ChEMBL
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assayMore data for this Ligand-Target Pair
Affinity DataKd: 3.79E+5nMAssay Description:Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of bovine seminal vesicle COX uing [1-14C]PGH2 as substrate by TLC/liquid scintillation spectrometry methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.18E+4nMAssay Description:Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescenc...More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fl...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Mus musculus (Mouse))
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of Src in mouse BV2 cells assessed as suppression of LPS-induced NO release preincubated for 1 hr followed by LPS addition measured after ...More data for this Ligand-Target Pair
TargetCDGSH iron-sulfur domain-containing protein 1(Homo sapiens (Human))
West Virginia University
Curated by ChEMBL
West Virginia University
Curated by ChEMBL
Affinity DataIC50: 2.36E+3nMAssay Description:Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...More data for this Ligand-Target Pair
Affinity DataIC50: 13nMAssay Description:Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))
University of Minnesota
Curated by ChEMBL
University of Minnesota
Curated by ChEMBL
Affinity DataIC50: 66nMAssay Description:Inhibition of recombinant rat N-terminal GST-tagged GSK3beta expressed in Escherichia coli assessed as reduction in tau phosphorylation preincubated ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of tau (unknown origin) fibril formation by thioflavin-T fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of tau (unknown origin) fibril formation by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for...More data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human serum BuChE using butylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil.
Curated by ChEMBL
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil.
Curated by ChEMBL
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured at 12 se...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil.
Curated by ChEMBL
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil.
Curated by ChEMBL
Affinity DataIC50: 1.32E+5nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Abdul Wali Khan University Mardan
Curated by ChEMBL
Abdul Wali Khan University Mardan
Curated by ChEMBL
Affinity DataIC50: 300nMAssay Description:Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measure...More data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of amyloid beta (1 to 42) (unknown origin) self-aggregation after 24 hrs by thioflavin-T fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.25E+4nMAssay Description:Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) self aggregation after 24 hrs by ThT-based fluorometric methodMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University of Basel
Curated by ChEMBL
University of Basel
Curated by ChEMBL
Affinity DataIC50: 1.73E+3nMAssay Description:Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin...More data for this Ligand-Target Pair
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico
Curated by ChEMBL
University of New Mexico
Curated by ChEMBL
Affinity DataEC50: 2.10E+4nMAssay Description:Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.55E+4nMAssay Description:Inhibition of APN (unknown origin)More data for this Ligand-Target Pair
TargetCREB-binding protein/Histone acetyltransferase p300(Homo sapiens (Human))
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of p300/CBP (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PAK 1(Homo sapiens (Human))
PAK Research Center
Curated by ChEMBL
PAK Research Center
Curated by ChEMBL
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of recombinant human PAK1 by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.87E+4nMAssay Description:Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 24 hrs by thioflavin-T fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of amyloid beta (1 to 42) fibrillization (unknown origin) incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T...More data for this Ligand-Target Pair
TargetCREB-binding protein/Histone acetyltransferase p300(Homo sapiens (Human))
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of recombinant human P300/CBP expressed in Baculovirus expression system using histone as substrate after 10 mins in presence of [3H]-acet...More data for this Ligand-Target Pair
Affinity DataIC50: 1.87E+4nMAssay Description:Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs under dark condition by thioflavi...More data for this Ligand-Target Pair
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by ThT fluorescence assayMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Seoul National University
Curated by ChEMBL
Seoul National University
Curated by ChEMBL
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of L-type calcium channel in Sprague-Dawley rat aortic rings assessed as reduction in phenylephrine-induced vasoconstriction preincubated ...More data for this Ligand-Target Pair
Affinity DataIC50: 800nMAssay Description:Inhibition of human amyloid beta (1 to 40) aggregation after 1 hr by thioflavin-T fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human amyloid beta (1 to 42) aggregation after 46 to 48 hrs by Thioflavin T fluorescence assayMore data for this Ligand-Target Pair