BDBM23051 7-(4-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one::alpha-ketooxazole, 5w

SMILES [O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1

InChI Key InChIKey=KYPMNYDXOVUKHE-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 2 hits for monomerid = 23051   

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

LigandPNGBDBM23051(7-(4-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Affinity DataKi:  6.5nM ΔG°:  -11.0kcal/mole IC50:  0.5nMpH: 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
TargetCarboxylic ester hydrolase(Homo sapiens (Human))
The Scripps Research Institute

LigandPNGBDBM23051(7-(4-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Affinity DataIC50:  5.00E+4nMT: 2°CAssay Description:Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition obser...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed