BDBM50584229 CHEMBL5078985::US20240327418, Example LEE16

SMILES CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1

InChI Key InChIKey=JPXOLQFKWRYZSF-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50584229   

TargetHistone deacetylase 3(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 0.380nMAssay Description:Inhibition of human recombinant HDAC3 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 0.430nMAssay Description:Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489 residues) expressed in baculovirus-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 0.435nMAssay Description:a) Formulation of 100% solution: 50 μL of HDAC buffer was mixed with 10 μL of enzyme solution, 40 μL of substrate was added after 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/3/2025
Entry Details
US Patent

TargetHistone deacetylase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 3nMAssay Description:Inhibition of C-terminal 6XHis-tagged/FLAG-tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 3.01nMAssay Description:a) Formulation of 100% solution: 50 μL of HDAC buffer was mixed with 10 μL of enzyme solution, 40 μL of substrate was added after 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/3/2025
Entry Details
US Patent

TargetHistone deacetylase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of human recombinant HDAC1 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant HDAC2 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 18.5nMAssay Description:a) Formulation of 100% solution: 50 μL of HDAC buffer was mixed with 10 μL of enzyme solution, 40 μL of substrate was added after 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/3/2025
Entry Details
US Patent

TargetHistone deacetylase 2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 19nMAssay Description:Inhibition of C-terminal 6XHis-tagged full length human recombinant HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells using Boc-L...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant HDAC6 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetNicotinamide phosphoribosyltransferase(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584229(CHEMBL5078985 | US20240327418, Example LEE16)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of N-terminal GST-tagged human recombinant NAMPT (2 to 491 residues) expressed in Escherichia coli expression system incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed