BDBM50212216 CHEMBL3944678

SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccc(cc4)N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2

InChI Key InChIKey=UHTZSHFDYVGELL-VXMGAWDISA-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 3 hits for monomerid = 50212216   

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

Curated by ChEMBL
LigandPNGBDBM50212216(CHEMBL3944678)
Affinity DataKi:  1.10E+3nMAssay Description:Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcyl-protein thioesterase 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50212216(CHEMBL3944678)
Affinity DataIC50: >1.00E+4nMAssay 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
In DepthDetails ArticlePubMed
TargetPyridoxal kinase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50212216(CHEMBL3944678)
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