BDBM50539804 CHEMBL4640025::US11840533, Compound 71

SMILES CC(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1

InChI Key InChIKey=RXFBVSDRBYMKRU-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 50539804   

TargetBromodomain-containing protein 4(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50539804BDBM50539804(CHEMBL4640025 | US11840533, Compound 71)
Affinity DataIC50: 8.30nMAssay Description:Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4 [75-147](Human)
University of Illinois

US Patent
LigandChemical structure of BindingDB Monomer ID 50539804BDBM50539804(CHEMBL4640025 | US11840533, Compound 71)
Affinity DataKi: <10nMAssay Description:The BRD4 bromodomain 1 and/or 2 binding activity were measured by using the Cayman BRD4 bromodomain 1 or 2 TR-FRET Assay Kit (Item. No. 600520, 60053...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/2/2024
Entry Details
US Patent

TargetBromodomain-containing protein 4 [368-440](Human)
University of Illinois

US Patent
LigandChemical structure of BindingDB Monomer ID 50539804BDBM50539804(CHEMBL4640025 | US11840533, Compound 71)
In Depth
Date in BDB:
2/2/2024
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50539804BDBM50539804(CHEMBL4640025 | US11840533, Compound 71)
Affinity DataIC50: 22nMAssay Description:Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed