BDBM23055 alpha-ketooxazole, 5aa::methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate

SMILES COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1

InChI Key InChIKey=MEJUZYNOMWOYLT-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 = 23055   

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

LigandPNGBDBM23055(alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyr...)
Affinity DataKi:  1nM ΔG°:  -12.1kcal/mole IC50:  0.400nMpH: 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

LigandPNGBDBM23055(alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyr...)
Affinity DataIC50:  1.00E+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