BDBM96924 MLS002182684::N-[2-(4-fluorophenyl)ethyl]-4-(4-morpholinyl)-4-oxobutanamide::N-[2-(4-fluorophenyl)ethyl]-4-keto-4-morpholino-butyramide::N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxidanylidene-butanamide::N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide::SMR001271714::cid_25162571

SMILES COc1cccc(F)c1-c1cc(C#N)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1

InChI Key InChIKey=AFFJSLKSDZCMNA-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 1 hit for monomerid = 96924   

TargetDNA polymerase theta [1-899](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96924BDBM96924(N-(5-((5-chloropyridin-2-yl)methoxy)- 1,3,4-thiadi...)
Affinity DataIC50: 200nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2026
Entry Details
US Patent