BDBM23050 7-[4-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one::alpha-ketooxazole, 5v

SMILES CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1

InChI Key InChIKey=JPUOUZLSBPJXEV-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 = 23050   

TargetDNA ligase 1(Human)
The Scripps Research Institute

LigandPNGBDBM23050(7-[4-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Affinity DataKi:  2.5nM ΔG°:  -11.6kcal/mole IC50:  20nMpH: 9.0 T: 22°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(Human)
The Scripps Research Institute

LigandPNGBDBM23050(7-[4-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Affinity DataIC50:  800nMT: 25°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