BDBM27148 2-[3-methyl-1-(propan-2-yl)azetidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide::benzimidazole carboxamide, 13

SMILES CC(C)N1CC(C)(c2nc3cccc(C(N)=O)c3[nH]2)C1

InChI Key InChIKey=FTZIRHPRWCGCTG-UHFFFAOYSA-N

Data  1 KI

  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 = 27148   

TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

LigandChemical structure of BindingDB Monomer ID 27148BDBM27148(2-[3-methyl-1-(propan-2-yl)azetidin-3-yl]-1H-1,3-b...)
Affinity DataKi:  9nM ΔG°:  -10.9kcal/molepH: 8.0 T: 2°CAssay Description:PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2009
Entry Details Article
PubMed