BDBM646442 US11878973, Example 123

SMILES CCC1=C(C(=O)n2c(nc(n2)C3=CCOCC3)N1CC(=O)Nc4ccc(cc4Cl)C(F)(F)F)N5CCN(CC5)C(=O)c6c(c(ncn6)C)O

InChI Key InChIKey=XKYVECRUZPCRQR-UHFFFAOYSA-N

Data  5 IC50

PDB links: 2 PDB IDs match this monomer.

  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 5 hits for monomerid = 646442   

TargetBifunctional 3'-5' exonuclease/ATP-dependent helicase WRN(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 646442BDBM646442(US11878973, Example 123)
Affinity DataIC50: 30nMAssay Description:Inhibition of N-terminal GST-tagged WRN (500 to 946 residues) (unknown origin) expressed in Escherichia coli BL21 cells preincubated with compound fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBifunctional 3'-5' exonuclease/ATP-dependent helicase WRN(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 646442BDBM646442(US11878973, Example 123)
Affinity DataIC50: 31nMAssay Description:Inhibition of N-terminal GST-tagged WRN (500 to 946 residues) (unknown origin) expressed in Escherichia coli BL21 cells preincubated with compound fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBifunctional 3'-5' exonuclease/ATP-dependent helicase WRN(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 646442BDBM646442(US11878973, Example 123)
Affinity DataIC50: 88nMAssay Description:Inhibition of N-terminal FLAG-tagged human full length WRN expressed in baculovirus-infected Sf9 cells assessed as inhibition of ATPase activity usin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandChemical structure of BindingDB Monomer ID 646442BDBM646442(US11878973, Example 123)
Affinity DataIC50: 100nMAssay Description:The core helicase motif of the WRN protein (aa N517-P1238) was produced for this assay (protein production as described above). A 45 oligonucleotide ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2024
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetBifunctional 3'-5' exonuclease/ATP-dependent helicase WRN(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 646442BDBM646442(US11878973, Example 123)
Affinity DataIC50: 100nMAssay Description:Inhibition of N-terminal Hexa-histidine-tagged human recombinant WRN helicase domain (517 to 945 residues) extracted from Baculovirus infected Sf9 ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)