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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 22449   

TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human HDAC6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
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 8(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  143nMAssay Description:Inhibition of human HDAC8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  326nMAssay Description:Inhibition of human HDAC1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  374nMAssay Description:Inhibition of human HDAC10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  509nMAssay Description:Inhibition of human HDAC9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  544nMAssay Description:Inhibition of human HDAC3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 11(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  719nMAssay Description:Inhibition of human HDAC11More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
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 2(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  1.18E+3nMAssay Description:Inhibition of human HDAC2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  1.92E+3nMAssay Description:Inhibition of human HDAC5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  5.43E+3nMAssay Description:Inhibition of human HDAC7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
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
TargetHistone deacetylase 4(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Affinity DataKi:  9.12E+3nMAssay Description:Inhibition of human HDAC4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed