BDBM50468532 CHEMBL1360726

SMILES CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C

InChI Key InChIKey=ITKWKFDZJCBVEW-UHFFFAOYSA-N

Data  2 IC50  2 Kd

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 4 hits for monomerid = 50468532   

TargetPeregrin(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468532(CHEMBL1360726)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of recombinant human His-tagged BRPF1 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeregrin(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468532(CHEMBL1360726)
Affinity DataKd:  2.70E+3nMAssay Description:Binding affinity to N-terminal GST-tagged BRPF1 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 9(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468532(CHEMBL1360726)
Affinity DataIC50: 2.04E+5nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BRD9 (135 to 248 residues) using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetPeregrin(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468532(CHEMBL1360726)
Affinity DataKd:  1.80E+3nMAssay Description:Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)