BDBM476106 US10865208, Compound I-161::US10865208, Compound I-211::[(2R,3S,5R)-5-{4-amino-3-[(2-fluoro-4-methylphenyl)sulfanyl]-1H-pyrazolo[3,4- d]pyrimidin-1-yl}-3-hydroxytetrahydrofuran-2-yl]methyl sulfamate

SMILES Cc1ccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c(F)c1

InChI Key InChIKey=GRYCCRMITKNCNZ-UHFFFAOYSA-N

Data  3 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 = 476106   

TargetUbiquitin-like modifier-activating enzyme ATG7(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476106([(2R,3S,5R)-5-{4-amino-3-[(2-fluoro-4-methylphenyl...)
Affinity DataIC50: 75nMAssay Description:The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2021
Entry Details
Go to US Patent

TargetUbiquitin-like modifier-activating enzyme ATG7(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476106([(2R,3S,5R)-5-{4-amino-3-[(2-fluoro-4-methylphenyl...)
Affinity DataIC50: 75nMAssay Description:The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2021
Entry Details
Go to US Patent

TargetUbiquitin-like modifier-activating enzyme ATG7(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476106([(2R,3S,5R)-5-{4-amino-3-[(2-fluoro-4-methylphenyl...)
Affinity DataIC50: 80nMAssay Description:Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed