BDBM50189903 CHEMBL3828396::US11572368, Compound 54

SMILES Nc1ccc(cc1NC(=O)C1CCOCC1)-c1ccc(F)cc1

InChI Key InChIKey=ZFCDNONWGMYBHA-UHFFFAOYSA-N

Data  2 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50189903   

TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataKi:  84nMAssay Description:Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...More data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataKi:  2.08E+3nMAssay Description:Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataIC50:  62nMAssay Description:Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataIC50:  50nMAssay Description:HDAC1: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. Trypsin Coupled...More data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataIC50:  50nMAssay Description:HDAC2: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. HDAC2-Kinetic I...More data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataIC50:  3.05E+3nMAssay Description:HDAC3: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. HDAC3-Kinetic I...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone deacetylase 3(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataIC50:  1.09E+3nMAssay Description:Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
Broad Institute Of Mit And Harvard

Curated by ChEMBL
LigandPNGBDBM50189903(CHEMBL3828396 | US11572368, Compound 54)
Affinity DataIC50:  29nMAssay Description:Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...More data for this Ligand-Target Pair