BDBM50399672 CHEMBL2178342

SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1

InChI Key InChIKey=DORPIZJGSLWDIY-UHFFFAOYSA-N

Data  10 IC50  2 Kd

PDB links: 2 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 12 hits for monomerid = 50399672   

TargetHistone deacetylase 6(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of HDAC6 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of HDAC4 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 70nMAssay Description:Inhibition of HDAC8 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HDAC2 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of HDAC1 by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 44nMAssay Description:Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHistone deacetylase 8(Blood fluke)
University of Strasbourg

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 95nMAssay Description:Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase 8(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 746nMAssay Description:Inhibition of human His-thioredoxin-tagged HDAC8 mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 628nMAssay Description:Inhibition of human His-thioredoxin-tagged HDAC8 mL1/mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataKd:  90nMAssay Description:Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHistone deacetylase 8(Blood fluke)
University of Strasbourg

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataKd:  82nMAssay Description:Binding affinity to Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase 3(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 6.80E+4nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed