BDBM23103 2-[(4-phenylbutyl)sulfanyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]ethan-1-one::alpha-ketooxazole, 12b

SMILES O=C(CSCCCCc1ccccc1)c1ncc(o1)-c1ccccn1

InChI Key InChIKey=ZSJUSXPDIILCLH-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 = 23103   

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

LigandPNGBDBM23103(2-[(4-phenylbutyl)sulfanyl]-1-[5-(pyridin-2-yl)-1,...)
Affinity DataKi:  4nM ΔG°:  -11.4kcal/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