BDBM96919 (2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid benzyl ester::(2S)-4-methyl-2-[[oxo-[5-[oxo-[(2-oxo-2-phenylmethoxyethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester::(phenylmethyl) (2S)-4-methyl-2-[[5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate::ILP-III-40::MLS000849543::SMR000642025::benzyl (2S)-4-methyl-2-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]pentanoate::cid_24789280

SMILES COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc3[nH]ncc23)s1

InChI Key InChIKey=KRLKAHWTOUBUEI-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 1 hit for monomerid = 96919   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96919BDBM96919(N-[5-(1H-indazol-4-ylmethoxy)-1,3,4- thiadiazol-2-...)
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