BDBM23057 alpha-ketooxazole, 5cc::methyl 4-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate

SMILES COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1

InChI Key InChIKey=DOQPJISTYSHXTI-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 2 hits for monomerid = 23057   

TargetCarboxylic ester hydrolase(Human)
The Scripps Research Institute

LigandPNGBDBM23057(methyl 4-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-y...)
Affinity DataIC50: 6.00E+3nMT: 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 Article
PubMed
TargetDNA ligase 1(Human)
The Scripps Research Institute

LigandPNGBDBM23057(methyl 4-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-y...)
Affinity DataKi:  1.5nM ΔG°:  -11.9kcal/mole IC50: 0.240nMpH: 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 Article
PubMed