BDBM331991 A mixture of 5-((2R,6S)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)-N-(2-isopropyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide and 5-((2S,6R)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)-N-(2-isopropyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide::US10195181, Example 17
SMILES: CC(C)n1n(C)c(C)c(NC(=O)c2noc([C@H]3CCC[C@H](O3)C(C)(C)C)c2C)c1=O
InChI Key: InChIKey=IHDWQGDZRHONMF-CVEARBPZSA-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)) | BDBM331991 (A mixture of 5-((2R,6S)-6-(tert-butyl)tetrahydro-2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 980 | 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 |