BDBM23077 3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one::alpha-ketooxazole, 11i

SMILES O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1

InChI Key InChIKey=QZIJGRWYLYQBLO-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 23077   

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

LigandPNGBDBM23077(3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Affinity DataKi:  2.20nM ΔG°:  -11.8kcal/mole IC50:  2nMT: 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
TargetFatty-acid amide hydrolase 1 [30-579](Rattus norvegicus (rat))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM23077(3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Affinity DataKi:  2.20nMAssay Description:Inhibition of rat recombinant FAAH expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarboxylic ester hydrolase(Homo sapiens (Human))
The Scripps Research Institute

LigandPNGBDBM23077(3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Affinity DataIC50:  90nMT: 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