BDBM50239499 CHEMBL4081711::US10329302, Example 344::US10793579, Example 374::US11702424, Example 374

SMILES CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC

InChI Key InChIKey=JKDGKIBAOAFRPJ-UHFFFAOYSA-N

Data  19 IC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50239499   

LigandChemical structure of BindingDB Monomer ID 50239499BDBM50239499(CHEMBL4081711 | US10329302, Example 344 | US107935...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of full-length IRAK4 (unknown origin) in presence of ATP by DELFIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandChemical structure of BindingDB Monomer ID 50239499BDBM50239499(CHEMBL4081711 | US10329302, Example 344 | US107935...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of IRAK4 in human PBMC cells assessed as reduction in R848-stimulated TNF-alpha productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)