BDBM178100 BRD3308::US11377423, Cmpd 1

SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N

InChI Key InChIKey=RRJDFENBXIEAPD-UHFFFAOYSA-N

Data  3 KI  28 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 178100   

TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataKi:  29nM ΔG°:  -10.3kcal/mole IC50:  64nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataKi:  5.10E+3nM ΔG°:  -7.21kcal/mole IC50:  1.08E+3nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataKi:  6.30E+3nM ΔG°:  -7.09kcal/mole IC50:  1.15E+3nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.33E+4nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.33E+4nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.33E+4nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  64nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.15E+3nMAssay Description:Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.08E+3nMAssay Description:Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  64nMAssay Description:Inhibition of recombinant human full length HDAC3 using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate ad...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  68nMMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human HDAC2 expressed in Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate preincubated for 3 hrs by microf...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  64nMAssay Description:Inhibition of His-tagged GST-fused human HDAC3/NcoR2 expressed in sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate prein...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microflu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human HDAC5 using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of HDAC6 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labeled acetyl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-lab...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.25E+3nMAssay Description:The following non-trypsin coupled in-vitro HDAC enzymatic endpoint assay was used to assay the compounds of the invention. Below is a standardized pr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.42E+3nMMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  68nMMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.25E+3nMAssay Description:The following non-trypsin coupled in-vitro HDAC enzymatic endpoint assay was used to assay the compounds of the invention. Below is a standardized pr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.42E+3nMMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 6(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.33E+4nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.33E+4nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
University Of East Anglia

Curated by ChEMBL
LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50: >3.33E+4nMpH: 7.4 T: 2°CAssay Description:Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Harvard And Mit

LigandPNGBDBM178100(BRD3308 | US11377423, Cmpd 1)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of HDAC1 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide substrate preincubated for 3 hrs by microfluidic capil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed