BDBM331984 A mixture of 5-((2S,4R,6R)-6-(tert-butyl)-4-methoxytetrahydro-2H-pyran-2-yl)-N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide and 5-((2R,4S,6S)-6-(tert-butyl)-4-methoxytetrahydro-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 13::US10195181, Example 13b
SMILES: CO[C@@H]1C[C@@H](O[C@@H](C1)C(C)(C)C)c1onc(C(=O)NC2=C(C)N(C)N(C2C)C2CCCCC2)c1C
InChI Key: InChIKey=JQATZKIUVQXNHA-LYIIJDOLSA-N
Data: 2 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)) | BDBM331984 (A mixture of 5-((2S,4R,6R)-6-(tert-butyl)-4-methox...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 730 | 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 | |||||||||||||
E3 ubiquitin-protein ligase SMURF1 (Homo sapiens (Human)) | BDBM331984 (A mixture of 5-((2S,4R,6R)-6-(tert-butyl)-4-methox...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 640 | 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 |