BDBM50640768 CHEMBL5589873

SMILES CCS(=O)(=O)Nc1cc(-c2cc(NC3CCNCC3)c(=O)n(C)c2)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1

InChI Key

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50640768   

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

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  8.90nMAssay Description:Binding affinity to his6-tagged human BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli Rossetta BL21 (DE3) cells assessed as dissociation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain testis-specific protein(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  10nMAssay Description:Binding affinity to BRDT BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  10nMAssay Description:Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataIC50: 12nMAssay Description:Inhibition of N-terminal his6-tagged human BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli Rossetta BL21 (DE3) cells incubated for 15 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 3(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  14nMAssay Description:Binding affinity to BRD3 BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetBromodomain-containing protein 2(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  28nMAssay Description:Binding affinity to BRD2 BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  826nMAssay Description:Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 2(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to BRD2 BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  1.65E+3nMAssay Description:Binding affinity to his-tagged human BRD4 BD2 assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 3(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  2.39E+3nMAssay Description:Binding affinity to BRD3 BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataIC50: 3.11E+3nMAssay Description:Inhibition of N-terminal his6-tagged human BRD4 BD2 incubated for 15 mins by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain testis-specific protein(Human)
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM50640768(CHEMBL5589873)
Affinity DataKd:  3.73E+3nMAssay Description:Binding affinity to BRDT BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed