BDBM331990 5-((2S,6R)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)-N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide or 5-((2R,6S)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)-N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide::US10195181, Example 16
SMILES: Cc1c(noc1[C@H]1CCC[C@H](O1)C(C)(C)C)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O
InChI Key: InChIKey=VZNLGZIMSONZEG-MOPGFXCFSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human)) | BDBM331990 (5-((2S,6R)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG US Patent | Assay Description To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1... | US Patent US10195181 (2019) BindingDB Entry DOI: 10.7270/Q28054Q2 | |||||||||||
More data for this Ligand-Target Pair |