BDBM96962 (5R,6R)-6-(5-nitro-1,2,3,4-tetrazol-2-yl)-5-phenyl-3-thiophen-2-yl-cyclohex-2-en-1-one::(5R,6R)-6-(5-nitro-2-tetrazolyl)-5-phenyl-3-thiophen-2-yl-1-cyclohex-2-enone::(5R,6R)-6-(5-nitro-2H-tetrazol-2-yl)-5-phenyl-3-thien-2-ylcyclohex-2-en-1-one::(5R,6R)-6-(5-nitrotetrazol-2-yl)-5-phenyl-3-(2-thienyl)cyclohex-2-en-1-one::(5R,6R)-6-(5-nitrotetrazol-2-yl)-5-phenyl-3-thiophen-2-ylcyclohex-2-en-1-one::MLS000584935::SMR000207320::cid_1266353

SMILES COc1cc(-c2ccccc2OC)c(C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)cn1

InChI Key InChIKey=RRNWTPYCEVWZSQ-UHFFFAOYSA-N

Data  1 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 = 96962   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96962BDBM96962(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