BDBM50557840 CHEMBL4798822::US20250084096, Compound 11a

SMILES CC(N)C#Cc1ccc(cc1)C1=N[C@@H](CC(=O)OC(C)(C)C)c2nnc(C)n2-c2sc(C)c(C)c12

InChI Key InChIKey=XSZSKZSQLYGRRZ-UHFFFAOYSA-N

Data  4 IC50

  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 = 50557840   

TargetBromodomain-containing protein 4(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50557840(CHEMBL4798822 | US20250084096, Compound 11a)
Affinity DataIC50: 14nMAssay Description:Binding affinity to His-6 tagged BRD4 BD1 bromodomain (unknown origin) incubated for 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50557840(CHEMBL4798822 | US20250084096, Compound 11a)
Affinity DataIC50: 11nMAssay Description:Binding affinity to His-6 tagged BRD4 BD2 bromodomain (unknown origin) incubated for 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetBromodomain-containing protein 4 [58-164](Human)
Genentech

US Patent
LigandPNGBDBM50557840(CHEMBL4798822 | US20250084096, Compound 11a)
Affinity DataIC50: 14.1nMAssay Description:Binding of his6-tagged BRD4_BD1 bromodomain or his6-tagged BRD4_BD2 to a biotinylated bromodomain ligand (Compound C) was monitored by time resolved ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2025
Entry Details
Go to US Patent

TargetBromodomain-containing protein 4 [348-457](Human)
Genentech

US Patent
LigandPNGBDBM50557840(CHEMBL4798822 | US20250084096, Compound 11a)
Affinity DataIC50: 10.6nMAssay Description:Binding of his6-tagged BRD4_BD1 bromodomain or his6-tagged BRD4_BD2 to a biotinylated bromodomain ligand (Compound C) was monitored by time resolved ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2025
Entry Details
Go to US Patent