BDBM23044 alpha-ketooxazole, 5p::tert-butyl N-(4-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}phenyl)carbamate

SMILES CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1

InChI Key InChIKey=ZWKZJZYJZGLUQV-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 = 23044   

TargetDNA ligase 1(Homo sapiens (Human))
The Scripps Research Institute

LigandPNGBDBM23044(alpha-ketooxazole, 5p | tert-butyl N-(4-{7-oxo-7-[...)
Affinity DataKi:  5.60nM ΔG°:  -11.1kcal/molepH: 9.0 T: 2°CAssay Description:The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed