BDBM23096 alpha-ketooxazole, 4bb::methyl 3-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hept-1-yn-1-yl}benzoate

SMILES COC(=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1

InChI Key InChIKey=NELYRIUOURRYFN-UHFFFAOYSA-N

Data  1 KI

  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 = 23096   

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

LigandPNGBDBM23096(alpha-ketooxazole, 4bb | methyl 3-{7-oxo-7-[5-(pyr...)
Affinity DataKi:  30nM ΔG°:  -10.3kcal/moleT: 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