BDBM570448 US11434233, Example 39b

SMILES C[C@@H]1COCCN1c1cc(N=[S@@](C)(=O)C2CC2)nc(n1)-c1ccnc(N)c1

InChI Key InChIKey=JHPDHYAMSPMBIF-UHFFFAOYSA-N

Data  11 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 11 hits for monomerid = 570448   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 24nMAssay 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
TargetSerine/threonine-protein kinase ATR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 50nMAssay 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
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 525nMAssay 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 mTOR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 968nMAssay 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-protein kinase ATM(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 2.44E+3nMAssay Description:Inhibition of ATM (unknown origin) by caliper 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 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 8.38E+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
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of PI3Kdelta (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of VPS34 (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of PI3Kgamma (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570448BDBM570448(US11434233, Example 39b)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of PI3Kbeta (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed