BDBM50652763 CHEMBL5646411::US20250268877, Example 84

SMILES CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O

InChI Key

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 5 hits for monomerid = 50652763   

LigandPNGBDBM50652763(CHEMBL5646411 | US20250268877, Example 84)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of IRAK4 (unknown origin) incubated for 1 hr in presence of ATP by Mesoscale assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50652763(CHEMBL5646411 | US20250268877, Example 84)
Affinity DataIC50: 31nMAssay Description:Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced IL-1beta production preincubated with compound for 1 hr followed by R...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50652763(CHEMBL5646411 | US20250268877, Example 84)
Affinity DataIC50: 100nMAssay Description:IRAK4 protein. N-terminal His-TEV-AVI tagged catalytical domain of human IRAK4 (a.a. 163-460) was co-expressed with Bir A in insect cells, and purifi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
12/8/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50652763(CHEMBL5646411 | US20250268877, Example 84)
Affinity DataIC50: 200nMAssay Description:IRAK4 protein. N-terminal His-TEV-AVI tagged catalytical domain of human IRAK4 (a.a. 163-460) was co-expressed with Bir A in insect cells, and purifi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
12/8/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50652763(CHEMBL5646411 | US20250268877, Example 84)
Affinity DataIC50: 400nMAssay Description:IRAK4 protein. N-terminal His-TEV-AVI tagged catalytical domain of human IRAK4 (a.a. 163-460) was co-expressed with Bir A in insect cells, and purifi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
12/8/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)