BDBM205426 US9243020, 27::US9815861, Example 27

SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)C(F)F

InChI Key InChIKey=INFUQWHUNQRCMN-UELCQGJWSA-N

Data  4 KI

  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 4 hits for monomerid = 205426   

TargetProtein O-GlcNAcase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM205426(US9243020, 27 | US9815861, Example 27)
Affinity DataKi:  28nM ΔG°:  -10.3kcal/molepH: 7.0 T: 2°CAssay Description:Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM205426(US9243020, 27 | US9815861, Example 27)
Affinity DataKi:  28nMAssay Description:Inhibition of recombinant human OGAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM205426(US9243020, 27 | US9815861, Example 27)
Affinity DataKi:  28nMAssay Description:Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205426(US9243020, 27 | US9815861, Example 27)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed