BDBM50655877 CHEMBL6146444

SMILES C[C@@H]1COCCN1c1cc(-c2ccnc3[nH]ccc23)nc(N=S(C)(C)=O)n1

InChI Key InChIKey=CKJNBDPIEOHIPS-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50655877   

TargetSerine/threonine-protein kinase ATR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655877BDBM50655877(CHEMBL6146444)
Affinity DataIC50: 37nMAssay Description:Inhibition of human full-length FLAG-TEV-tagged ATR/His6-tagged ATRIP expressed in HEK293 cells using FAM-labeled RAD17 peptide and ATP as substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655877BDBM50655877(CHEMBL6146444)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of ATR in 4-NQO treated human HT-29 cells assessed as inhibition of Chk1 phosphorylation at Ser345 residue incubated for 90 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655877BDBM50655877(CHEMBL6146444)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of mTOR in human HT-29 cells assessed as inhibition of S6 ribosomal protein phosphorylation at Ser 235/236 residue incubated for 2 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed