BDBM807938 5-((1-(4-((3aR,6aS)-5- Methylhexahydropyrrolo [3,4-c]pyrrol-2(1H)- yl)phenyl)-1H-imidazol- 4-yl)amino)pyrazine-2- carbonitrile::US20260132140, Example 101

SMILES CN1C[C@@H]2CN(c3ccc(-n4cnc(Nc5cnc(C#N)cn5)c4)cc3)C[C@@H]2C1

InChI Key InChIKey=XWOYHESZABQUCX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 807938   

TargetSerine/threonine-protein kinase Chk1(Human)
Benevolentai Bio

US Patent
LigandChemical structure of BindingDB Monomer ID 807938BDBM807938(5-((1-(4-((3aR,6aS)-5- Methylhexahydropyrrolo [3,4...)
Affinity DataIC50: 10nMAssay Description:Table 20: 2 μL enzyme/substrate solution (1 nM Chk-1 (Carna Bioscience #02-177), in solution with 30 μM ATP, 4 μM STK1 S1 (Cisbio #62ST1PEB) in assay...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/23/2026
Entry Details
US Patent

TargetSerine/threonine-protein kinase Chk2(Human)
Benevolentai Bio

US Patent
LigandChemical structure of BindingDB Monomer ID 807938BDBM807938(5-((1-(4-((3aR,6aS)-5- Methylhexahydropyrrolo [3,4...)
Affinity DataIC50: 5.50E+4nMAssay Description:Table 23: 2 μL enzyme/substrate solution (2 nM Chk-1 (Carna Bioscience #02-162), in solution with 200 μM ATP, 4 μM STK1 S1 (Cisbio #62ST1PEB) in assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/23/2026
Entry Details
US Patent