BDBM50648529 CHEMBL5612869

SMILES CN1C(=O)N2Cc3c(c4cc(OCCN5CCOCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)[C@@](C)(C2)C1=O

InChI Key

PDB links: 1 PDB ID matches 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 6 hits for monomerid = 50648529   

TargetHistone deacetylase 6(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50648529(CHEMBL5612869)
Affinity DataKi:  0.440nMAssay Description:Inhibition of purified recombinant human HDAC6 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorog...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50648529(CHEMBL5612869)
Affinity DataKi:  56nMAssay Description:Inhibition of purified recombinant human HDAC2 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorog...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50648529(CHEMBL5612869)
Affinity DataKi:  60nMAssay Description:Inhibition of purified recombinant human HDAC1 assessed as inhibition constant using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC as substrate measured ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50648529(CHEMBL5612869)
Affinity DataKi:  162nMAssay Description:Inhibition of purified recombinant human HDAC3 assessed as inhibition constant using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC as substrate measured ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 8(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50648529(CHEMBL5612869)
Affinity DataKi:  362nMAssay Description:Inhibition of purified recombinant human HDAC8 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorog...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPolyamine deacetylase HDAC10(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50648529(CHEMBL5612869)
Affinity DataKi:  849nMAssay Description:Inhibition of purified recombinant human HDAC10 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluoro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed