BDBM50557841 CHEMBL4751308::US20250084096, Compound 5a

SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(cc1)C#CCNC(N)=N

InChI Key InChIKey=FKNOBGFNZKGBPX-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 = 50557841   

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

Curated by ChEMBL
LigandPNGBDBM50557841(CHEMBL4751308 | US20250084096, Compound 5a)
Affinity DataIC50: 7.20nMAssay 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
LigandPNGBDBM50557841(CHEMBL4751308 | US20250084096, Compound 5a)
Affinity DataIC50: 8.5nMAssay 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
LigandPNGBDBM50557841(CHEMBL4751308 | US20250084096, Compound 5a)
Affinity DataIC50: 7.20nMAssay 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
LigandPNGBDBM50557841(CHEMBL4751308 | US20250084096, Compound 5a)
Affinity DataIC50: 8.5nMAssay 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