BDBM96950 3-(2-Amino-ethylamino)-1-furan-2-yl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile::3-(2-aminoethylamino)-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-(2-aminoethylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-(2-aminoethylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-(2-azanylethylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::MLS000552548::SMR000146063::cid_3751638

SMILES COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2cccc(F)n2)s1

InChI Key InChIKey=OHJUYZMTGRBRQX-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 = 96950   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96950BDBM96950(N-[5-[(6-fluoropyridin-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