BDBM752844 US20250197425, Example 20

SMILES CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)N[C@H]3CCN(C3)S(=O)(=O)C

InChI Key InChIKey=YDBYHBVECBWXQD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 752844   

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-D1(Human)
Astrazeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 752844BDBM752844(US20250197425, Example 20)
Affinity DataIC50: 13nMAssay Description:Compounds were tested in breast cancer cell line MCF-7 to assess inhibition of CDK1, CDK2, and CDK4 activity. MCF-7 cells transiently transfected wit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/15/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
LigandChemical structure of BindingDB Monomer ID 752844BDBM752844(US20250197425, Example 20)
Affinity DataIC50: 566nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/15/2025
Entry Details
US Patent

TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
Astrazeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 752844BDBM752844(US20250197425, Example 20)
Affinity DataIC50: 5.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/15/2025
Entry Details
US Patent