BDBM476001 US10865208, Compound I-58::{(2R,3S,4R,5R)-5-[4-amino-3-(isopropylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin- 1-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl sulfamate

SMILES CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12

InChI Key InChIKey=CDIBRSZOZOHBQK-HTVVRFAVSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 476001   

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

US Patent
LigandPNGBDBM476001(US10865208, Compound I-58 | {(2R,3S,4R,5R)-5-[4-am...)
Affinity DataIC50: <20nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetUbiquitin-like modifier-activating enzyme ATG7(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476001(US10865208, Compound I-58 | {(2R,3S,4R,5R)-5-[4-am...)
Affinity DataIC50:  284nMAssay Description:Inhibition of ATG7 in human 293HEK cells assessed as inhibition of ATG7:ATG8 thioester formation after 8 hrs by Western blot analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetUbiquitin-like modifier-activating enzyme ATG7(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476001(US10865208, Compound I-58 | {(2R,3S,4R,5R)-5-[4-am...)
Affinity DataIC50:  1.25E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetUbiquitin-like modifier-activating enzyme ATG7(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM476001(US10865208, Compound I-58 | {(2R,3S,4R,5R)-5-[4-am...)
Affinity DataIC50:  17nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed