BDBM714705 1-(4-(5-(3-amino-6-(4-isopropylsulfonyl)phenyl)pyrazin-2-yl)isoxazol-3-yl)-3-fluorobenzyl)guanidine dihydrochloride 4::US20250026742, Example 4

SMILES CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC(=N)N)cc4F)no3)n2)cc1

InChI Key InChIKey=DYCAGTHGZAHZRW-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 1 hit for monomerid = 714705   

TargetSerine/threonine-protein kinase ATR(Human)
Suzhou Ark Biopharmaceutical Co.

US Patent
LigandPNGBDBM714705(1-(4-(5-(3-amino-6-(4-isopropylsulfonyl)phenyl)pyr...)
Affinity DataIC50: 0.830nMAssay Description:Prepare various buffer systems required for the experiment:1. Prepare ATR reaction buffer containing 25 mM HEPES (Gibco, Cat #15630-080), 5 mM DTT (S...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/30/2025
Entry Details
Go to US Patent