BDBM462747 US10780090, Compound I-81::[(1R,2S,4R)-2-hydroxy-4-{[5-({4-[3-(methylsulfanyl)benzyl]-2- thienyl}carbonyl)pyrimidin-4-yl]amino}cyclopentyl]methyl sulfamate

SMILES CSc1cccc(Cc2csc(c2)C(=O)c2cncnc2N[C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)C2)c1

InChI Key InChIKey=DWOOEBPHAWRNBJ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 462747   

TargetSUMO-activating enzyme subunit 1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM462747(US10780090, Compound I-81 | [(1R,2S,4R)-2-hydroxy-...)
Affinity DataIC50: 10nMAssay Description:The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...More data for this Ligand-Target Pair
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Date in BDB:
5/2/2021
Entry Details
US Patent