BDBM19149 CHEMBL98::N-hydroxy-N'-phenyloctanediamide::SAHA::US10011611, SAHA::US10188756, Compound SAHA::US11207431, SAHA::US11505523, Compound SAHA::US9115116, SAHA::US9353061, SAHA::US9428447, SAHA::US9695181, Vorinostat::Vorinostat::Zolinza::cid_5311::suberoylanilide hydroxamic acid

SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1

InChI Key InChIKey=WAEXFXRVDQXREF-UHFFFAOYSA-N

Data  58 KI  1652 IC50  10 Kd  15 EC50  2 Other  2 ITC

PDB links: 14 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 19149   

TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute Of Harvard And Mit

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  1.03E+3nMAssay Description:Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute Of Harvard And Mit

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  1.00E+3nMAssay Description:Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  3.55E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Rattus norvegicus)
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  2.50E+3nMAssay Description:Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  2.51E+4nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute Of Harvard And Mit

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  399nMAssay Description:Inhibition of HDAC6 in human A2780S cells assessed as tubulin acetylation incubated for 6 hrs by cytoblot assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistone deacetylase(Homo sapiens (Human))
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  180nMAssay Description:Inhibition of HDAC in human cell lysates using fluoro-substrate peptide/fluoro-deacetylated peptide as substrate incubated for 20 mins measured at 1 ...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute Of Harvard And Mit

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  22nMAssay Description:Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistone deacetylase(Homo sapiens (Human))
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  550nMAssay Description:Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylationMore data for this Ligand-Target Pair
TargetProtein Tat(Human immunodeficiency virus type 1 (isolate HXB2 ...)
The Walter and Eliza Hall Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  2.30E+3nMAssay Description:Activation of Tat-mediated HIV1 transcription in J-Lat 10.6 cells harboring LTR driven GFP reporter co-expressing CMV driven RFP reporter assessed as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase(Homo sapiens (Human))
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  1.68E+3nMAssay Description:Inhibition of HDAC in human MeT-5A cells assessed as increase in transfected YFP fused histone H3 acetylation treated at 8 hrs after YFP fused H3 tra...More data for this Ligand-Target Pair
TargetHistone deacetylase 1/2/3/8(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  1.60E+3nMAssay Description:Inhibition of class 1 HDAC in human Jurkat model of HIV latency assessed as reactivation of HIV latency incubated for 20 hrs in presence of 5% NHS by...More data for this Ligand-Target Pair
TargetApoptosis regulator BAX(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute Of Harvard And Mit

Curated by ChEMBL
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Affinity DataEC50:  430nMAssay Description:Inhibition of HDAC6 in human MCF7 cells assessed as increase in acetylated alpha-tubulin at Lys40 residue incubated for 3 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 19149   

CellHistone deacetylase 1/3/5/8(Homo sapiens (Human))
North Dakota State University

SyringePNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
ITC DataΔG°: -8.36kcal/mole −TΔS°: 2.42kcal/mole ΔH°: -10.9kcal/mole logk: 1.36E+6
T: 25.00°C 
CellHistone deacetylase 1/3/5/8(Homo sapiens (Human))
North Dakota State University

SyringePNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
ITC DataΔG°: -8.36kcal/mole −TΔS°: 0.0519kcal/mole ΔH°: -8.96kcal/mole logk: 2.21E+6
pH: 7.5 T: -248.15°C