BDBM207992 ML349

SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1

InChI Key InChIKey=YVIJPELUPZUEJX-UHFFFAOYSA-N

Data  18 KI  4 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 207992   

TargetAcyl-protein thioesterase 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM207992(ML349)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) after 30 mins by flu...More data for this Ligand-Target Pair
TargetAcyl-protein thioesterase 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM207992(ML349)
Affinity DataIC50:  1.10E+3nM Kd:  240nMT: 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
TargetPyridoxal kinase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM207992(ML349)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by flu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcyl-protein thioesterase 2 [S122A](Homo sapiens (Human))
University of Michigan

LigandPNGBDBM207992(ML349)
Affinity DataIC50:  1.00E+3nM Kd:  160nMT: 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