BDBM50640192 CHEMBL5558671

SMILES C[C@@H]1COCCN1c1nc(-c2cc(C(F)(F)F)cc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O

InChI Key InChIKey=VQRIKGUNZDKECM-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 = 50640192   

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50640192BDBM50640192(CHEMBL5558671)
Affinity DataIC50: 9.20nMAssay Description:Inhibition of ATR/ATRIP (unknown origin) using 5-FAM-AK-17 as substrate preincubated with compound for 10 mins followed by ATP addition and measured ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed