BDBM23045 7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one::alpha-ketooxazole, 5q

SMILES Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1

InChI Key InChIKey=AITFDHBROVIWGR-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 = 23045   

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

LigandPNGBDBM23045(7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Affinity DataKi:  1.70nM ΔG°:  -11.8kcal/mole IC50:  30nMpH: 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

LigandPNGBDBM23045(7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Affinity DataIC50:  500nMT: 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