BDBM331987 A diastereomeric mixture of 5-((2R,4R,6S)-6-(tert-butyl)-4-methoxytetrahydro-2H-pyran-2-yl)-N-(2-cyclobutyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide and 5-((2S,4S,6R)-6-(tert-butyl)-4-methoxytetrahydro-2H-pyran-2-yl)-N-(2-cyclobutyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide::US10195181, Example 14

SMILES CO[C@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)Nc2c(C)n(C)n(C3CCC3)c2=O)c1C

InChI Key InChIKey=VGPBTPMZOFDBDS-KSZLIROESA-N

Data  1 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 1 hit for monomerid = 331987   

TargetE3 ubiquitin-protein ligase SMURF1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM331987(A diastereomeric mixture of 5-((2R,4R,6S)-6-(tert-...)
Affinity DataIC50:  2.50E+3nMAssay Description:To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent