BDBM50531020 CHEMBL4448410

SMILES ONC(=O)c1ccc(Cn2nnnc2-c2cccs2)cc1

InChI Key InChIKey=UFUGFWWXDWPEQE-UHFFFAOYSA-N

Data  15 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 15 hits for monomerid = 50531020   

TargetCytochrome P450 3A4(Human)
Preclinical R&D

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  4.74E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 11(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  1.02E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged HDAC11 expressed in baculovirus expression system using Fluor de Lys deacetylase or Fluor de Ly...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
Preclinical R&D

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  17nMAssay Description:Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
Preclinical R&D

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  17nMAssay Description:Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  924nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC1 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
Preclinical R&D

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  17nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  865nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  3.07E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in Sf9 insect cells using Neps...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  2.04E+3nMAssay Description:Inhibition of recombinant human ful length N-terminal GST-tagged HDAC5 expressed in baculovirus expression system using Nepsilon-Trifluoroacetyl L-ly...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  985nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus expression system using Nepsilon-Trifluoro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  984nMAssay Description:Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus expression system using Fluor de Lys deacetylase or ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  1.44E+3nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus expression system using Nepsilon-Trifluor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Italfarmaco

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of recombinant human N-terminal FLAG-tagged HDAC10 (1 to 613 residues) expressed in Sf9 insect cells using Fluor de Lys deacetylase or Flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Preclinical R&D

Curated by ChEMBL
LigandPNGBDBM50531020(CHEMBL4448410)
Affinity DataIC50:  4.74E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed