BDBM382121 (S)-5-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-6-(isopropylamino)pyrazine-2-carbonitrile::US10000468, Example 30::US10273225, Example 30

SMILES COc1cnc(C(F)F)cc1-c1cc(C#CCC2CCOC2=O)ncc1C(=O)Nc1nnc(C#CC2CC2)s1

InChI Key InChIKey=QENDOAGTFPJVJN-UHFFFAOYSA-N

Data  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 = 382121   

TargetDNA polymerase theta [1-894](Homo sapiens (Human))
Repare Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 382121BDBM382121(US20260022114, Compound 572)
Affinity DataIC50: 0.25nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2026
Entry Details US Patent