BDBM570425 US11434233, Example 18b

SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@@](C)(=O)C1CC1

InChI Key InChIKey=WZPUINHNJNRFBN-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 570425   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570425BDBM570425(US11434233, Example 18b)
Affinity DataIC50: 46nMAssay 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
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 570425BDBM570425(US11434233, Example 18b)
Affinity DataIC50: 71nMAssay Description:Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2022
Entry Details
US Patent

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570425BDBM570425(US11434233, Example 18b)
Affinity DataIC50: 83nMAssay 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
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 570425BDBM570425(US11434233, Example 18b)
Affinity DataIC50: 866nMAssay Description:Inhibition of mTOR (unknown origin) by LANCE Ultra assayMore data for this Ligand-Target Pair
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 570425BDBM570425(US11434233, Example 18b)
Affinity DataIC50: 7.00E+3nMAssay 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
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed