BDBM570460 US11434233, Example 45b

SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@@](C)(=O)C1COC1

InChI Key InChIKey=KYFDEZCOCVVHRB-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 570460   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 570460BDBM570460(US11434233, Example 45b)
Affinity DataIC50: 65nMMore 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 570460BDBM570460(US11434233, Example 45b)
Affinity DataIC50: 110nMMore 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 570460BDBM570460(US11434233, Example 45b)
Affinity DataIC50: 419nMAssay 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 570460BDBM570460(US11434233, Example 45b)
Affinity DataIC50: 421nMMore 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 570460BDBM570460(US11434233, Example 45b)
Affinity DataIC50: 5.25E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed