BDBM50584228 CHEMBL4597954::US20240327418, Comparative example 2 LP97/13a

SMILES CCCNNC(=O)\C=C\c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1

InChI Key InChIKey=VGRNFHJXEIFRTK-UHFFFAOYSA-N

Data  8 IC50

  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 = 50584228   

TargetHistone deacetylase 3(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 0.280nMAssay 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
TargetHistone deacetylase 3(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 0.280nMAssay 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 3(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of human recombinant HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 1 hr followed by substrate addition and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human recombinant HDAC3 using Ac-RHKK(Acetyl)-AMC peptide as fluorogenic substrate pre-incubated for 30 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of human recombinant HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 1 hr followed by substrate addition and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant HDAC1 using Ac-RHKK(Acetyl)-AMC peptide as fluorogenic substrate pre-incubated for 30 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 5.17nMAssay 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
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 5.20nMAssay 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
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 40nMAssay Description:Inhibition of human recombinant HDAC2 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 1 hr followed by substrate addition and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 49.5nMAssay 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 6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 50nMAssay Description:Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 50nMAssay 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 6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
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

US Patent
LigandPNGBDBM50584228(CHEMBL4597954 | US20240327418, Comparative example...)
Affinity DataIC50: 2.00E+4nMAssay 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