BDBM50597102 CHEMBL5178675::US20230287003, Example 1a

SMILES C[C@H]1CCOc2c(N1)c1cc(Nc3ccnc(Cl)c3C#N)ccc1n(C)c2=O

InChI Key InChIKey=BQTQTNBOKMCWAJ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50597102   

TargetB-cell lymphoma 6 protein(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM50597102(CHEMBL5178675 | US20230287003, Example 1a)
Affinity DataIC50: 129nMAssay Description:Each 15 μL HTRF reaction in a 384-well black Proxiplate (Perkin Elmer) contained 1 nM Trx-6×His-BCL6 (in house-produced, human BCL6 BTB domain c...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetB-cell lymphoma 6 protein(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM50597102(CHEMBL5178675 | US20230287003, Example 1a)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human C-terminal nanoLuc-tagged BCL6 expressed in HEK293T cells co-expressing HaloTagged-SMRT using NanoBRET furimazine as substrate in...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetB-cell lymphoma 6 protein(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM50597102(CHEMBL5178675 | US20230287003, Example 1a)
Affinity DataIC50: 130nMAssay Description:Inhibition of human N-terminal thioredoxin 6-His tagged BCL6 BTB domain (5 to 129 residues) expressed in Escherichia coli BL21-AI using BCOR-AF633 pe...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)