BDBM350086 3-[3-[4-[dideuterio-(trideuteriomethylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine ::US10208027, Compound II-2

SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

InChI Key InChIKey=JZCWLJDSIRUGIN-UHFFFAOYSA-N

Data  1 KI  7 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 8 hits for monomerid = 350086   

TargetSerine/threonine-protein kinase ATR(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataKi:  0.00800nMAssay Description:Inhibition of ATR (unknown origin) by Morrison equation based analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 0.170nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human ATR/ATRIP using GST-tagged p53 as substrate in presence of 3 uM ATP by AlphaScreen assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 74nMAssay Description:Inhibition of ATR in human HeLa S3 cells assessed as decrease in CHK1 phosphorylation at Ser345 residue pretreated for 20 mins followed by gemcitabin...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSerine-protein kinase ATM(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 85nMAssay Description:Inhibition of human full length recombinant ATM using GST-c-Myc-p53 as substrate measured after 30 mins in presence of Mg/ATP mix by ELISAMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPhosphatidylinositol 3-kinase regulatory subunit alpha(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 750nMAssay Description:Inhibition of PI3K alpha (unknown origin) by kinase profiler analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human full length recombinant DNA-PK using GST-c-Myc-p53 as substrate measured after 30 mins in presence of Mg/ATP mix by ELISAMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Repare Therapeutics, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 350086BDBM350086(US10208027, Compound II-2 | 3-[3-[4-[dideuterio-(t...)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of human full length recombinant mTOR measured after 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed