BDBM207995 ML349-thioether

SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CSc3ccccc3-c2s1

InChI Key InChIKey=HIXBVFHKPHVJKC-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  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 = 207995   

TargetAcyl-protein thioesterase 2 [S122A](Homo sapiens (Human))
University of Michigan

LigandPNGBDBM207995(ML349-thioether)
Affinity DataIC50: >1.00E+5nM Kd: >1.00E+4nMT: 2°CAssay Description:Varying amounts of enzyme were diluted in PBS supplemented with 0.5 g/L pluronic F127 and incubated with 500 nM ML349-FL for 30 minutes at room tempe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcyl-protein thioesterase 2(Homo sapiens (Human))
University of Michigan

LigandPNGBDBM207995(ML349-thioether)
Affinity DataIC50: >1.00E+5nM Kd: >1.00E+4nMT: 2°CAssay Description:Varying amounts of enzyme were diluted in PBS supplemented with 0.5 g/L pluronic F127 and incubated with 500 nM ML349-FL for 30 minutes at room tempe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed