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 103 hits for monomerid = 22449
Affinity DataIC50: 1.64E+4nMpH: 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: 3.00E+4nMpH: 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
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
University of Illinois
US Patent
University of Illinois
US Patent
Affinity DataIC50: 3.00E+4nMpH: 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: 3.00E+4nMpH: 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: 3.00E+4nMpH: 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: 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: 3.00E+4nMpH: 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: 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 DataIC50: 3.00E+4nMpH: 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: 3.00E+4nMpH: 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: 3.00E+4nMpH: 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: 1.40E+3nMAssay Description:Inhibition of full length GST-tagged human HDAC1 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.27E+3nMAssay Description:Inhibition of full length C-terminal 6x-His tagged human HDAC2 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 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: 1.73E+4nMAssay Description:Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hr...More data for this Ligand-Target Pair
Affinity DataIC50: 3.35E+3nMAssay Description:Inhibition of C-terminal 6x-His tagged human HDAC5 (657 to 1123 residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2...More data for this Ligand-Target Pair
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hrs...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: 3.71E+3nMAssay Description:Inhibition of N-terminal GST-tagged human HDAC10 (1 to 481 residues) using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.79E+3nMAssay Description:Inhibition of full length N-terminal GST-tagged human HDAC11 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assayMore 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: 2.90E+3nMAssay Description:Inhibition of HDAC6 in human HeLa cells assessed as reduction in K40 hyperacetylation of alpha-tubulin incubated for 6 hrs by immunofluorescence assa...More data for this Ligand-Target Pair
Affinity DataEC50: 2.17E+5nMAssay Description:Inhibition of Histone deacetylase 1 induced acetylated histone in mammalian cells.More data for this Ligand-Target Pair
Affinity DataEC50: 2.90E+3nMAssay Description:Tested for inhibition of Histone deacetylase 6 induced acetylated tubulin in mammalian cells.More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory concentration against maize histone deacetylase 2More data for this Ligand-Target Pair
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
University of Illinois
US Patent
University of Illinois
US Patent
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc from p53 as substrateMore data for this Ligand-Target Pair
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
University of Illinois
US Patent
University of Illinois
US Patent
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of HDAC8More data for this Ligand-Target Pair
Affinity DataEC50: 2.90E+3nMAssay Description:Inhibition of HDAC6 in human A549 cells assessed as induction of alpha-tubulin acetylation by fluorescence microscopyMore data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology
Curated by ChEMBL
East China University of Science and Technology
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...More data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology
Curated by ChEMBL
East China University of Science and Technology
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...More data for this Ligand-Target Pair
Affinity DataIC50: 6.27E+3nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of HDAC1 (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: 1.27E+3nMAssay Description:Inhibition of HDAC3 (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: 6.27E+3nMAssay Description:Inhibition of HADC2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of HADC1 (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 HADC3 (unknown origin)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 DataIC50: 1.40E+3nMAssay Description:Inhibition of recombinant human HDAC1 using RHKKAc fluorogenic peptide substrateMore 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: 4nMAssay Description:Inhibition of recombinant human HDAC6 using RHKKAc fluorogenic peptide substrateMore 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: 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