BDBM681309 N-(4-((S*)-2-(2-Fluorophenyl)propyl)-6-(((R)-1-hydroxy-4-methylpentan-2-yl)amino)-1,3,5-triazin-2-yl)methanesulfonamide (Isomer 1)::US20240199558, Example 145

SMILES CC(C)C[C@H](CO)Nc1nc(C[C@H](C)c2ccccc2F)nc(NS(C)(=O)=O)n1

InChI Key InChIKey=BRRRLKNPJKEQOX-UHFFFAOYSA-N

Data  1 IC50

  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 = 681309   

TargetCX3C chemokine receptor 1(Human)
Astrazeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 681309BDBM681309(US20240199558, Example 145 | N-(4-((S*)-2-(2-Fluor...)
Affinity DataIC50: 129nMAssay Description:CHO-hCX3CR1 membranes (5 μg per well) together with different concentrations of antagonistic compound were incubated in 50 mM HEPES (pH 7.4), 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
US Patent

TargetCX3C chemokine receptor 1(Human)
Astrazeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 681309BDBM681309(US20240199558, Example 145 | N-(4-((S*)-2-(2-Fluor...)
Affinity DataIC50: 637nMAssay Description:The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details US Patent