BDBM22449 CHEMBL356769::N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-N -hydroxyoctanediamide::Tubacin::US9249087, Tubastatin A
SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChI Key InChIKey=BHUZLJOUHMBZQY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 108 hits for monomerid = 22449
Affinity DataKi: 0.900nMAssay Description:Inhibition of human HDAC6More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of human recombinant HDAC6 using ZMAL (Z-(Ac)Lys-AMC) as fluorogenic substrate incubated for 120 mins by microplate reader assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human HDAC6 using fluorogenic RHKKAc peptide as substrate by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed ...More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of human recombinant HDAC6 using RHKKAc (379 to 382 residues) as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human HDAC6 using RHKKAc fluorogenic peptide substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HADC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduction in deacetylation of Ac-Arg-Gly-Lys(Ac)-AMC substrate by fluoresce...More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 7nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...More data for this Ligand-Target Pair
Affinity DataIC50: 8.5nMAssay Description:Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate pre-incubated for 15 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
Affinity DataIC50: 15nMpH: 8.0Assay Description:HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...More data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...More data for this Ligand-Target Pair
Affinity DataIC50: 48nMAssay Description:Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as the substrate containing residues 379-382 of p53at 10 uM pre-incubated for 15 mins ...More data for this Ligand-Target Pair
Affinity DataKi: 142nM ΔG°: -9.24kcal/molepH: 7.4 T: 2°CAssay Description:To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...More data for this Ligand-Target Pair
Affinity DataKi: 143nMAssay Description:Inhibition of human HDAC8More data for this Ligand-Target Pair
Affinity DataIC50: 180nMAssay Description:Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...More data for this Ligand-Target Pair
Affinity DataKi: 326nMAssay Description:Inhibition of human HDAC1More data for this Ligand-Target Pair
Affinity DataKi: 374nMAssay Description:Inhibition of human HDAC10More data for this Ligand-Target Pair
Affinity DataKi: 509nMAssay Description:Inhibition of human HDAC9More data for this Ligand-Target Pair
Affinity DataKi: 544nMAssay Description:Inhibition of human HDAC3More data for this Ligand-Target Pair
Affinity DataIC50: 695nMAssay Description:Inhibition of human recombinant HDAC8 using FLUOR DE LYS fluorometric substrate pre-incubated for 15 mins and followed by substrate addition and meas...More data for this Ligand-Target Pair
Affinity DataKi: 719nMAssay Description:Inhibition of human HDAC11More data for this Ligand-Target Pair
Affinity DataIC50: 854nMpH: 8.0Assay Description:HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...More data for this Ligand-Target Pair
Affinity DataKi: 995nM ΔG°: -8.10kcal/molepH: 7.4 T: 2°CAssay Description:To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...More data for this Ligand-Target Pair
Affinity DataIC50: 1.01E+3nMAssay Description:Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incub...More data for this Ligand-Target Pair
Affinity DataKi: 1.18E+3nMAssay Description:Inhibition of human HDAC2More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
University of Illinois At Chicago
Curated by ChEMBL
University of Illinois At Chicago
Curated by ChEMBL
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc from p53 as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of full length C-terminal 6x-His tagged human HDAC3 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
University of Illinois At Chicago
Curated by ChEMBL
University of Illinois At Chicago
Curated by ChEMBL
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of full length C-terminal 6x-His tagged human HDAC8 using Arg-His-Lys(Ac)-Lys(Ac) substrate incubated for 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HADC3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HADC8 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
