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-YXQOSMAKSA-N

Data  14 KI  83 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22449   

TargetHistone deacetylase 6(Homo sapiens (Human))
University of Notre Dame

LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
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
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
University of Notre Dame

LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
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
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
University of Notre Dame

LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  6.30E+3nM ΔG°:  -7.02kcal/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
In DepthDetails ArticlePubMed