BDBM726827 US20250084096, Compound 4a::tert-butyl (S)-2-(4-(4-(4- aminobut-1-yn-1-yl)phenyl)- 2,3,9-trimethyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4] diazepin-6-yl)acetate

SMILES Cc1sc2c(c1C)C(c1ccc(C#CCCN)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2

InChI Key InChIKey=JIVQCEANPFXWMB-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 726827   

TargetBromodomain-containing protein 4 [58-164](Human)
Genentech

US Patent
LigandPNGBDBM726827(tert-butyl (S)-2-(4-(4-(4- aminobut-1-yn-1-yl)phen...)
Affinity DataIC50: 13nMAssay 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
Ligand Info
In Depth
Date in BDB:
7/17/2025
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM726827(tert-butyl (S)-2-(4-(4-(4- aminobut-1-yn-1-yl)phen...)
Affinity DataIC50: 17.7nMAssay 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
Target InfoPDB
GoogleScholar
Ligand Info
In Depth
Date in BDB:
7/17/2025
Entry Details
Go to US Patent