BDBM478105 (R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrrolo[2,3-b]pyridin-4-yl)pyridin-2- yl)imino)-lambda6-sulfanone::US10894052, Example 1

SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc3[nH]ccc23)c1

InChI Key InChIKey=RDNDIPAHXNYUND-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 478105   

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 478105BDBM478105((R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrro...)
Affinity DataIC50: 10nMAssay 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:
8/14/2021
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 478105BDBM478105((R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrro...)
Affinity DataIC50: 12nMAssay 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 ATR(Human)
The University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 478105BDBM478105((R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrro...)
Affinity DataIC50: 261nMAssay 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 478105BDBM478105((R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrro...)
Affinity DataIC50: 1.60E+3nMAssay 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 478105BDBM478105((R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrro...)
Affinity DataIC50: 8.50E+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