BDBM50544938 CHEMBL4094346::US11059801, Compound dBET1

SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c13)c1nnc(C)n-21)c1ccc(Cl)cc1

InChI Key InChIKey=LKEGXJXRNBALBV-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50544938   

TargetBromodomain testis-specific protein(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50544938(CHEMBL4094346 | US11059801, Compound dBET1)
Affinity DataKd:  6nMAssay Description:Binding affinity to human partial length BRDT bromodomain 1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetDNA damage-binding protein 1/Protein cereblon(Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM50544938(CHEMBL4094346 | US11059801, Compound dBET1)
Affinity DataIC50: 3.09nMAssay Description:A thalidomide competition AlphaScreen assay was employed to measure the binding affinity (IC50) of thalidomide conjugates and novel IMiDs to CRBN-DDB...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
Go to US Patent

LigandPNGBDBM50544938(CHEMBL4094346 | US11059801, Compound dBET1)
Affinity DataIC50: 20nMAssay Description:AlphaScreen technology was used to detect CRBN-DDB1/BRD4 dimerization induced by dBET molecules. In brief, GST-BRD4[49-170] (Sigma Aldrich) and CRBN-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2022
Entry Details
Go to US Patent

TargetBromodomain-containing protein 3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50544938(CHEMBL4094346 | US11059801, Compound dBET1)
Affinity DataKi:  5.30nMAssay Description:Binding affinity to recombinant human BRD3 BD2 (306 to 417 residues) assessed as inhibition constant by fluorescence polarization binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetBromodomain-containing protein 3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50544938(CHEMBL4094346 | US11059801, Compound dBET1)
Affinity DataKi:  7.30nMAssay Description:Binding affinity to recombinant human BRD3 BD1 (24 to 144 residues) assessed as inhibition constant by fluorescence polarization binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed