BDBM476117 US10865208, Compound I-172::{(2R,3S,5R)-5-[4-amino-3-(ethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3- hydroxytetrahydrofuran-2-yl}methyl sulfamate

SMILES CCSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12

InChI Key InChIKey=BCXBJKSUTZHZCN-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 476117   

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

US Patent
LigandPNGBDBM476117({(2R,3S,5R)-5-[4-amino-3-(ethylsulfanyl)-1H-pyrazo...)
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
LigandPNGBDBM476117({(2R,3S,5R)-5-[4-amino-3-(ethylsulfanyl)-1H-pyrazo...)
Affinity DataIC50: 52nMAssay 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
TargetUbiquitin-like modifier-activating enzyme ATG7(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476117({(2R,3S,5R)-5-[4-amino-3-(ethylsulfanyl)-1H-pyrazo...)
Affinity DataIC50: 367nMAssay Description:Inhibition of ATG7 in human 293HEK cells assessed as inhibition of ATG7:ATG8 thioester formation after 4 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed