BDBM411553 (R)-4-(4-((dimethyl(oxo)- 16-sulfaneylidene)- amino)-6-(3-methyl- morpholino)pyrimidin-2- yl)-1H-pyrrolo[2,3-b]- pyridine-2-carbonitrile::US10392376, Example 104::US10800769, Example 104::US11434233, Example 104

SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(cc12)C#N

InChI Key InChIKey=HXNNTZCKNFXYRT-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 = 411553   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 411553BDBM411553(US10392376, Example 104 | (R)-4-(4-((dimethyl(oxo)...)
Affinity DataIC50: 88nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
6/1/2021
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 411553BDBM411553(US10392376, Example 104 | (R)-4-(4-((dimethyl(oxo)...)
Affinity DataIC50: 88nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
7/20/2020
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 411553BDBM411553(US10392376, Example 104 | (R)-4-(4-((dimethyl(oxo)...)
Affinity DataIC50: 88nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
11/13/2022
Entry Details
US Patent

TargetSerine/threonine-protein kinase Chk1(Human)
University Of Texas

US Patent
LigandChemical structure of BindingDB Monomer ID 411553BDBM411553(US10392376, Example 104 | (R)-4-(4-((dimethyl(oxo)...)
Affinity DataIC50: 244nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
6/1/2021
Entry Details
US Patent