BDBM466903 US10800769, Example 6::methyl tetrahydropyran- 4-yl ({6-[(3R)-3-methyl- morpholin-4-yl]-2-{1H- pyrrolo[2,3-b]pyridin-4- yl}pyrimidin-4-yl}- imino)-lambda6-sulfanone

SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CCOCC2)nc(-c2ccnc3[nH]ccc23)n1

InChI Key InChIKey=YQUDFCUTBNDZAV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 466903   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 466903BDBM466903(methyl tetrahydropyran- 4-yl ({6-[(3R)-3-methyl- m...)
Affinity DataIC50: 17nMAssay 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 Chk1(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 466903BDBM466903(methyl tetrahydropyran- 4-yl ({6-[(3R)-3-methyl- m...)
Affinity DataIC50: 212nMAssay Description:Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2021
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 466903BDBM466903(methyl tetrahydropyran- 4-yl ({6-[(3R)-3-methyl- m...)
Affinity DataIC50: 213nMAssay 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 mTOR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 466903BDBM466903(methyl tetrahydropyran- 4-yl ({6-[(3R)-3-methyl- m...)
Affinity DataIC50: 6.36E+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