BDBM50652764 CHEMBL5639415::US20250268877, Example 83

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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50652764   

LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
Affinity DataIC50: 3.10nMAssay 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)
LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
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)
LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
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)
LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
Affinity DataIC50: 2.29E+3nMAssay 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)
LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
Affinity DataIC50: 2.60E+3nMAssay 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)
LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
Affinity DataIC50: 3.10E+3nMAssay 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)
LigandPNGBDBM50652764(CHEMBL5639415 | US20250268877, Example 83)
Affinity DataIC50: 1.20E+4nMAssay 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)